5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one

C14H25N5O — CID 136958269

IUPAC5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCCCNC1CCC(N(C)c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C14H25N5O/c1-3-8-16-10-4-6-11(7-5-10)19(2)13-12(15)14(20)18-9-17-13/h9-11,16H,3-8,15H2,1-2H3,(H,17,18,20)
InChIKeyGTGHRBSVLROZIH-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.10
Rot. Bonds5

About 5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one

5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one (PubChem CID 136958269) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
PubChem CID136958269
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
SMILESCCCNC1CCC(N(C)c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C14H25N5O/c1-3-8-16-10-4-6-11(7-5-10)19(2)13-12(15)14(20)18-9-17-13/h9-11,16H,3-8,15H2,1-2H3,(H,17,18,20)
InChIKeyGTGHRBSVLROZIH-UHFFFAOYSA-N
XLogP1.10
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
5-Amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177234014
1-cyclohexyl-3-(2-(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)ethyl)urea
CID 71795201
3,7-Dimethyl-7-[5-(methylamino)hexyl]purin-7-ium-2,6-dione
CID 54114422
7-(5-Aminohexyl)-3,7-dimethylpurin-7-ium-2,6-dione
CID 54534836
6(s)-Propyl-tetrahydropterin
CID 135518060
2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
CID 135524426
2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
CID 135584213
4-(methylamino)-5-(octylamino)-1H-pyrimidin-6-one
CID 136348154
(6R)-2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136389752
2-amino-6-propyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136389753
4-amino-5-(pentylamino)-1H-pyrimidin-6-one
CID 136423385

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one (CID 136958269) is 5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one is CCCNC1CCC(N(C)c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
The InChIKey is GTGHRBSVLROZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-8-16-10-4-6-11(7-5-10)19(2)13-12(15)14(20)18-9-17-13/h9-11,16H,3-8,15H2,1-2H3,(H,17,18,20).
What are the key properties of 5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one?
5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one has a molecular weight of 279.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).