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

C10H14BrN3O — CID 136870780

IUPAC5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)(Nc1nc[nH]c(=O)c1Br)C1CC1
InChIInChI=1S/C10H14BrN3O/c1-10(2,6-3-4-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyFTLBYUNZFUMKML-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.13
Rot. Bonds3

About 5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one

5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136870780) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136870780
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)(Nc1nc[nH]c(=O)c1Br)C1CC1
InChIInChI=1S/C10H14BrN3O/c1-10(2,6-3-4-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyFTLBYUNZFUMKML-UHFFFAOYSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one (CID 136870780) is 5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one is CC(C)(Nc1nc[nH]c(=O)c1Br)C1CC1.
What is the InChIKey of 5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is FTLBYUNZFUMKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-10(2,6-3-4-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 272.15 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-cyclopropylpropan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136870780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).