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

C11H21N5O — CID 136961736

IUPAC5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(C)CC(N)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H21N5O/c1-11(2,3)4-7(12)5-14-9-8(13)10(17)16-6-15-9/h6-7H,4-5,12-13H2,1-3H3,(H2,14,15,16,17)
InChIKeyHZHZTSNPGCACQH-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.53
Rot. Bonds4

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

5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136961736) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
PubChem CID136961736
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(C)CC(N)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H21N5O/c1-11(2,3)4-7(12)5-14-9-8(13)10(17)16-6-15-9/h6-7H,4-5,12-13H2,1-3H3,(H2,14,15,16,17)
InChIKeyHZHZTSNPGCACQH-UHFFFAOYSA-N
XLogP0.53
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136912678
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136975203
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
CID 136975883
5-amino-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819406
5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976247
3-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-5-methylhexanoic acid
CID 136959119
5-amino-4-(2-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136976144
5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one
CID 136973357

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one (CID 136961736) is 5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one is CC(C)(C)CC(N)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is HZHZTSNPGCACQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-11(2,3)4-7(12)5-14-9-8(13)10(17)16-6-15-9/h6-7H,4-5,12-13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 0.53, 4 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-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136961736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).