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

C13H21N3O — CID 136768845

IUPAC2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(C)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H21N3O/c1-4-13(2,3)8-14-10-7-11(17)16-12(15-10)9-5-6-9/h7,9H,4-6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyBHPCQZJCSZQIAQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.50
Rot. Bonds5

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

2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one (PubChem CID 136768845) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
PubChem CID136768845
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(C)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H21N3O/c1-4-13(2,3)8-14-10-7-11(17)16-12(15-10)9-5-6-9/h7,9H,4-6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyBHPCQZJCSZQIAQ-UHFFFAOYSA-N
XLogP2.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136987597
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
2-cyclopropyl-4-[[2-(dimethylamino)-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136975056
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-(2-methylpentan-2-ylamino)-1H-pyrimidin-6-one
CID 136977049
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695
2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973791
2-cyclopropyl-4-(2-methylbut-3-yn-2-ylamino)-1H-pyrimidin-6-one
CID 136975839
2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240480

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one (CID 136768845) is 2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one is CCC(C)(C)CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
The InChIKey is BHPCQZJCSZQIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-13(2,3)8-14-10-7-11(17)16-12(15-10)9-5-6-9/h7,9H,4-6,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136768845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).