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

C12H19N3O — CID 136870782

IUPAC4-(2-cyclopropylpropan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC(C)(C)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-4-9-13-10(7-11(16)14-9)15-12(2,3)8-5-6-8/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyJWHRYSYEJDFEQU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.93
Rot. Bonds4

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

4-(2-cyclopropylpropan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136870782) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(2-cyclopropylpropan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopropylpropan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136870782
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(2-cyclopropylpropan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC(C)(C)C2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-4-9-13-10(7-11(16)14-9)15-12(2,3)8-5-6-8/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyJWHRYSYEJDFEQU-UHFFFAOYSA-N
XLogP1.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.93
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-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopropylpropan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one (CID 136870782) is 4-(2-cyclopropylpropan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopropylpropan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopropylpropan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NC(C)(C)C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-(2-cyclopropylpropan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is JWHRYSYEJDFEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-9-13-10(7-11(16)14-9)15-12(2,3)8-5-6-8/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-(2-cyclopropylpropan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one?
4-(2-cyclopropylpropan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.93, 4 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-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136870782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).