6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide

C25H32N8O3 — CID 121409393

IUPAC6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(N2CCC(COc3cncnc3N)CC2)nc(OC[C@H]2C[C@H]2C#N)n1)C1CC1
InChIInChI=1S/C25H32N8O3/c1-15(17-2-3-17)30-24(34)20-9-22(32-25(31-20)36-13-19-8-18(19)10-26)33-6-4-16(5-7-33)12-35-21-11-28-14-29-23(21)27/h9,11,14-19H,2-8,12-13H2,1H3,(H,30,34)(H2,27,28,29)/t15?,18-,19+/m0/s1
InChIKeyHCQAXYAZFBIUOB-AOWWOYQVSA-N
MW492.58 g/mol
LogP2.21
Rot. Bonds10

About 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide

6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide (PubChem CID 121409393) has the molecular formula C25H32N8O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide
PubChem CID121409393
Molecular FormulaC25H32N8O3
Molecular Weight492.58 g/mol
Exact Mass492.26
IUPAC Name6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(N2CCC(COc3cncnc3N)CC2)nc(OC[C@H]2C[C@H]2C#N)n1)C1CC1
InChIInChI=1S/C25H32N8O3/c1-15(17-2-3-17)30-24(34)20-9-22(32-25(31-20)36-13-19-8-18(19)10-26)33-6-4-16(5-7-33)12-35-21-11-28-14-29-23(21)27/h9,11,14-19H,2-8,12-13H2,1H3,(H,30,34)(H2,27,28,29)/t15?,18-,19+/m0/s1
InChIKeyHCQAXYAZFBIUOB-AOWWOYQVSA-N
XLogP2.21
TPSA152.17 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)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]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide (CID 121409393) is 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide is CC(NC(=O)c1cc(N2CCC(COc3cncnc3N)CC2)nc(OC[C@H]2C[C@H]2C#N)n1)C1CC1.
What is the InChIKey of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide?
The InChIKey is HCQAXYAZFBIUOB-AOWWOYQVSA-N. The full InChI is InChI=1S/C25H32N8O3/c1-15(17-2-3-17)30-24(34)20-9-22(32-25(31-20)36-13-19-8-18(19)10-26)33-6-4-16(5-7-33)12-35-21-11-28-14-29-23(21)27/h9,11,14-19H,2-8,12-13H2,1H3,(H,30,34)(H2,27,28,29)/t15?,18-,19+/m0/s1.
What are the key properties of 6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide?
6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 2.21, 10 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]-2-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-N-(1-cyclopropylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 121409393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).