5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one

C10H19N5O — CID 136912678

IUPAC5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CC(N)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H19N5O/c1-6(2)3-7(11)4-13-9-8(12)10(16)15-5-14-9/h5-7H,3-4,11-12H2,1-2H3,(H2,13,14,15,16)
InChIKeyNVDHALWJJDWLRT-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.14
Rot. Bonds5

About 5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136912678) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one
PubChem CID136912678
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)CC(N)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H19N5O/c1-6(2)3-7(11)4-13-9-8(12)10(16)15-5-14-9/h5-7H,3-4,11-12H2,1-2H3,(H2,13,14,15,16)
InChIKeyNVDHALWJJDWLRT-UHFFFAOYSA-N
XLogP0.14
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136961736
3-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-5-methylhexanoic acid
CID 136959119
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136975203
5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
CID 136975883
5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one
CID 136974646
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one
CID 136978155
5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
CID 137016260

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one (CID 136912678) is 5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one is CC(C)CC(N)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NVDHALWJJDWLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-6(2)3-7(11)4-13-9-8(12)10(16)15-5-14-9/h5-7H,3-4,11-12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 225.30 g/mol, XLogP of 0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136912678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).