4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide

C16H25N5O — CID 158844038

IUPAC4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESNCC1CCC(Cc2nc(NC3CC3)ncc2C(N)=O)CC1
InChIInChI=1S/C16H25N5O/c17-8-11-3-1-10(2-4-11)7-14-13(15(18)22)9-19-16(21-14)20-12-5-6-12/h9-12H,1-8,17H2,(H2,18,22)(H,19,20,21)
InChIKeyIYPGLYRLQHCWBK-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.46
Rot. Bonds6

About 4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide

4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide (PubChem CID 158844038) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
PubChem CID158844038
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESNCC1CCC(Cc2nc(NC3CC3)ncc2C(N)=O)CC1
InChIInChI=1S/C16H25N5O/c17-8-11-3-1-10(2-4-11)7-14-13(15(18)22)9-19-16(21-14)20-12-5-6-12/h9-12H,1-8,17H2,(H2,18,22)(H,19,20,21)
InChIKeyIYPGLYRLQHCWBK-UHFFFAOYSA-N
XLogP1.46
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide (CID 158844038) is 4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide is NCC1CCC(Cc2nc(NC3CC3)ncc2C(N)=O)CC1.
What is the InChIKey of 4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
The InChIKey is IYPGLYRLQHCWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c17-8-11-3-1-10(2-4-11)7-14-13(15(18)22)9-19-16(21-14)20-12-5-6-12/h9-12H,1-8,17H2,(H2,18,22)(H,19,20,21).
What are the key properties of 4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide?
4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 158844038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).