4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one

C9H15ClN4O — CID 137008656

IUPAC4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESCC(C)(CN)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H15ClN4O/c1-9(2,3-11)4-12-7-6(10)8(15)14-5-13-7/h5H,3-4,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyLXTOKJWLMBYDHU-UHFFFAOYSA-N
MW230.70 g/mol
LogP0.82
Rot. Bonds4

About 4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one

4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one (PubChem CID 137008656) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one
PubChem CID137008656
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESCC(C)(CN)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H15ClN4O/c1-9(2,3-11)4-12-7-6(10)8(15)14-5-13-7/h5H,3-4,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyLXTOKJWLMBYDHU-UHFFFAOYSA-N
XLogP0.82
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-amino-2,2-difluoropropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136979149
5-chloro-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 137009782
5-chloro-4-(3-fluoropropylamino)-1H-pyrimidin-6-one
CID 137273178
5-chloro-2,4-bis[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one
CID 136119394
5-chloro-2,4-bis(ethylamino)-1H-pyrimidin-6-one
CID 136186056
5-chloro-2-(2,2-dimethylpropylamino)-1H-pyrimidin-6-one
CID 133671375
4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
CID 136689845
5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752198
5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768843
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136794226
4-[5-aminopentyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136829851
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843228

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one (CID 137008656) is 4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one is CC(C)(CN)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is LXTOKJWLMBYDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-9(2,3-11)4-12-7-6(10)8(15)14-5-13-7/h5H,3-4,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one?
4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 230.70 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 137008656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).