5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one

C10H16ClN3O — CID 136768843

IUPAC5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(C)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-4-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyJUNBHAPZYJQHNA-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.27
Rot. Bonds4

About 5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one

5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one (PubChem CID 136768843) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
PubChem CID136768843
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(C)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-4-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyJUNBHAPZYJQHNA-UHFFFAOYSA-N
XLogP2.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
CID 136704106
5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716231
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-[(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
4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136768844
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
5-chloro-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794534

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one (CID 136768843) is 5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one is CCC(C)(C)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
The InChIKey is JUNBHAPZYJQHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-4-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one has a molecular weight of 229.71 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136768843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).