5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one

C14H25N5O — CID 136974274

IUPAC5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one
SMILESCN(CCCNc1nc[nH]c(=O)c1N)C1CCCCC1
InChIInChI=1S/C14H25N5O/c1-19(11-6-3-2-4-7-11)9-5-8-16-13-12(15)14(20)18-10-17-13/h10-11H,2-9,15H2,1H3,(H2,16,17,18,20)
InChIKeyVGFBYEFMKQUGPQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.42
Rot. Bonds6

About 5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one

5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one (PubChem CID 136974274) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one
PubChem CID136974274
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one
SMILESCN(CCCNc1nc[nH]c(=O)c1N)C1CCCCC1
InChIInChI=1S/C14H25N5O/c1-19(11-6-3-2-4-7-11)9-5-8-16-13-12(15)14(20)18-10-17-13/h10-11H,2-9,15H2,1H3,(H2,16,17,18,20)
InChIKeyVGFBYEFMKQUGPQ-UHFFFAOYSA-N
XLogP1.42
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Amino-6-dimethylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136035310
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one (CID 136974274) is 5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one is CN(CCCNc1nc[nH]c(=O)c1N)C1CCCCC1.
What is the InChIKey of 5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one?
The InChIKey is VGFBYEFMKQUGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-19(11-6-3-2-4-7-11)9-5-8-16-13-12(15)14(20)18-10-17-13/h10-11H,2-9,15H2,1H3,(H2,16,17,18,20).
What are the key properties of 5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one?
5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one has a molecular weight of 279.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).