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

C10H17ClN4O — CID 136857341

IUPAC4-[(4-amino-2,2-dimethylbutyl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESCC(C)(CCN)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-10(2,3-4-12)5-13-8-7(11)9(16)15-6-14-8/h6H,3-5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyPZXCODFXVNEYST-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.21
Rot. Bonds5

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

4-[(4-amino-2,2-dimethylbutyl)amino]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136857341) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 4-[(4-amino-2,2-dimethylbutyl)amino]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-amino-2,2-dimethylbutyl)amino]-5-chloro-1H-pyrimidin-6-one
PubChem CID136857341
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name4-[(4-amino-2,2-dimethylbutyl)amino]-5-chloro-1H-pyrimidin-6-one
SMILESCC(C)(CCN)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-10(2,3-4-12)5-13-8-7(11)9(16)15-6-14-8/h6H,3-5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyPZXCODFXVNEYST-UHFFFAOYSA-N
XLogP1.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
CID 136689845
4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
CID 136704106
5-chloro-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723582
5-chloro-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723593
5-chloro-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750469
5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752198
4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one
CID 136755778
4-[(1-amino-3-methylpentan-3-yl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136757239
5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757524
5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768843
4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768846
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136794226

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2,2-dimethylbutyl)amino]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-amino-2,2-dimethylbutyl)amino]-5-chloro-1H-pyrimidin-6-one (CID 136857341) is 4-[(4-amino-2,2-dimethylbutyl)amino]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-amino-2,2-dimethylbutyl)amino]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-amino-2,2-dimethylbutyl)amino]-5-chloro-1H-pyrimidin-6-one is CC(C)(CCN)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 4-[(4-amino-2,2-dimethylbutyl)amino]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is PZXCODFXVNEYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-10(2,3-4-12)5-13-8-7(11)9(16)15-6-14-8/h6H,3-5,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-[(4-amino-2,2-dimethylbutyl)amino]-5-chloro-1H-pyrimidin-6-one?
4-[(4-amino-2,2-dimethylbutyl)amino]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 244.73 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2,2-dimethylbutyl)amino]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136857341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).