6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide

C25H30N8O3 — CID 121426715

IUPAC6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide
SMILESN#CC1C[C@@H]1COc1nc(C(=O)NC23CC(C2)C3)cc(N2CCC(COc3cncnc3N)CC2)n1
InChIInChI=1S/C25H30N8O3/c26-10-17-5-18(17)13-36-24-30-19(23(34)32-25-7-16(8-25)9-25)6-21(31-24)33-3-1-15(2-4-33)12-35-20-11-28-14-29-22(20)27/h6,11,14-18H,1-5,7-9,12-13H2,(H,32,34)(H2,27,28,29)/t16?,17?,18-,25?/m1/s1
InChIKeyPBINTQYDLHDHJP-QVUMMMNWSA-N
MW490.57 g/mol
LogP1.96
Rot. Bonds9

About 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide

6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide (PubChem CID 121426715) has the molecular formula C25H30N8O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide
PubChem CID121426715
Molecular FormulaC25H30N8O3
Molecular Weight490.57 g/mol
Exact Mass490.24
IUPAC Name6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide
SMILESN#CC1C[C@@H]1COc1nc(C(=O)NC23CC(C2)C3)cc(N2CCC(COc3cncnc3N)CC2)n1
InChIInChI=1S/C25H30N8O3/c26-10-17-5-18(17)13-36-24-30-19(23(34)32-25-7-16(8-25)9-25)6-21(31-24)33-3-1-15(2-4-33)12-35-20-11-28-14-29-22(20)27/h6,11,14-18H,1-5,7-9,12-13H2,(H,32,34)(H2,27,28,29)/t16?,17?,18-,25?/m1/s1
InChIKeyPBINTQYDLHDHJP-QVUMMMNWSA-N
XLogP1.96
TPSA152.17 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide with MolForge

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Related Compounds

6-[(3R,4R)-4-[(4-aminopyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide
CID 121409043
6-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide
CID 121409328
6-[(3R,4R)-4-[(4-aminopyrimidin-5-yl)oxymethyl]-3-fluoropiperidin-1-yl]-N-(1-bicyclo[1.1.0]butanyl)-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide
CID 126683666
6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S)-2-cyanocyclopropyl]methoxy]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide
CID 126683556
4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[[(1R,2S)-2-cyanocyclopropyl]methoxy]-N-(2,2-dimethylpropyl)-1,3,5-triazine-2-carboxamide
CID 121409212
6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[(1-cyanocyclopropyl)methoxy]-N-(2,2-difluoropropyl)pyrimidine-4-carboxamide
CID 121409480
cis-(1R,2S)-2-[[4-[4-[(2-amino-3-pyridinyl)oxymethyl]piperidin-1-yl]-6-(2-cyclobutylacetyl)pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 158664513
cis-(1R,2S)-2-[[4-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-butanoylpyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 159339687
[4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-6-[(1,1,1-trifluoro-4-hydroxybutan-2-yl)carbamoyl]pyrimidin-2-yl]oxymethyl cyanate
CID 126683916
6-[4-[[(1E,3Z)-1-amino-1-(methylideneamino)penta-1,3-dien-2-yl]oxymethyl]piperidin-1-yl]-2-[[(1R,2S)-2-cyanocyclopropyl]methoxy]-N-ethylpyrimidine-4-carboxamide
CID 126683640
methyl 4-[4-[[2-amino-5-(1-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazine-2-carboxylate
CID 121409060
4-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-[(1R)-1-cyclopropylethyl]-6-[[(1S,2R)-2-methylcyclopropyl]methoxy]-1,3,5-triazine-2-carboxamide
CID 126683669

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide (CID 121426715) is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide is N#CC1C[C@@H]1COc1nc(C(=O)NC23CC(C2)C3)cc(N2CCC(COc3cncnc3N)CC2)n1.
What is the InChIKey of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide?
The InChIKey is PBINTQYDLHDHJP-QVUMMMNWSA-N. The full InChI is InChI=1S/C25H30N8O3/c26-10-17-5-18(17)13-36-24-30-19(23(34)32-25-7-16(8-25)9-25)6-21(31-24)33-3-1-15(2-4-33)12-35-20-11-28-14-29-22(20)27/h6,11,14-18H,1-5,7-9,12-13H2,(H,32,34)(H2,27,28,29)/t16?,17?,18-,25?/m1/s1.
What are the key properties of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide?
6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[[(1S)-2-cyanocyclopropyl]methoxy]pyrimidine-4-carboxamide is sourced from PubChem (CID 121426715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).