4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one

C11H17N3O — CID 136870772

IUPAC4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)(C)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O/c1-7-12-9(6-10(15)13-7)14-11(2,3)8-4-5-8/h6,8H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyKBTJLTDFEGZVTR-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.68
Rot. Bonds3

About 4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one

4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136870772) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136870772
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)(C)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O/c1-7-12-9(6-10(15)13-7)14-11(2,3)8-4-5-8/h6,8H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyKBTJLTDFEGZVTR-UHFFFAOYSA-N
XLogP1.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one (CID 136870772) is 4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC(C)(C)C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KBTJLTDFEGZVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-12-9(6-10(15)13-7)14-11(2,3)8-4-5-8/h6,8H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136870772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).