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

C25H30N8O3 — CID 121409180

IUPAC6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[(1-cyanocyclopropyl)methoxy]pyrimidine-4-carboxamide
SMILESN#CC1(COc2nc(C(=O)NC34CC(C3)C4)cc(N3CCC(COc4cncnc4N)CC3)n2)CC1
InChIInChI=1S/C25H30N8O3/c26-13-24(3-4-24)14-36-23-30-18(22(34)32-25-8-17(9-25)10-25)7-20(31-23)33-5-1-16(2-6-33)12-35-19-11-28-15-29-21(19)27/h7,11,15-17H,1-6,8-10,12,14H2,(H,32,34)(H2,27,28,29)
InChIKeyMLTRDUSEILKLCE-UHFFFAOYSA-N
MW490.57 g/mol
LogP2.11
Rot. Bonds9

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

6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[(1-cyanocyclopropyl)methoxy]pyrimidine-4-carboxamide (PubChem CID 121409180) 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-[(1-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-[(1-cyanocyclopropyl)methoxy]pyrimidine-4-carboxamide
PubChem CID121409180
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-[(1-cyanocyclopropyl)methoxy]pyrimidine-4-carboxamide
SMILESN#CC1(COc2nc(C(=O)NC34CC(C3)C4)cc(N3CCC(COc4cncnc4N)CC3)n2)CC1
InChIInChI=1S/C25H30N8O3/c26-13-24(3-4-24)14-36-23-30-18(22(34)32-25-8-17(9-25)10-25)7-20(31-23)33-5-1-16(2-6-33)12-35-19-11-28-15-29-21(19)27/h7,11,15-17H,1-6,8-10,12,14H2,(H,32,34)(H2,27,28,29)
InChIKeyMLTRDUSEILKLCE-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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-[(1-cyanocyclopropyl)methoxy]pyrimidine-4-carboxamide with MolForge

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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-[(1-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-[(1-cyanocyclopropyl)methoxy]pyrimidine-4-carboxamide (CID 121409180) is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[(1-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-[(1-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-[(1-cyanocyclopropyl)methoxy]pyrimidine-4-carboxamide is N#CC1(COc2nc(C(=O)NC34CC(C3)C4)cc(N3CCC(COc4cncnc4N)CC3)n2)CC1.
What is the InChIKey of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[(1-cyanocyclopropyl)methoxy]pyrimidine-4-carboxamide?
The InChIKey is MLTRDUSEILKLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O3/c26-13-24(3-4-24)14-36-23-30-18(22(34)32-25-8-17(9-25)10-25)7-20(31-23)33-5-1-16(2-6-33)12-35-19-11-28-15-29-21(19)27/h7,11,15-17H,1-6,8-10,12,14H2,(H,32,34)(H2,27,28,29).
What are the key properties of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[(1-cyanocyclopropyl)methoxy]pyrimidine-4-carboxamide?
6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-2-[(1-cyanocyclopropyl)methoxy]pyrimidine-4-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 2.11, 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-[(1-cyanocyclopropyl)methoxy]pyrimidine-4-carboxamide is sourced from PubChem (CID 121409180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).