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

C10H14BrN3O — CID 136957174

IUPAC5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one
SMILESCC(CNc1nc[nH]c(=O)c1Br)C1CC1
InChIInChI=1S/C10H14BrN3O/c1-6(7-2-3-7)4-12-9-8(11)10(15)14-5-13-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyGDKKVGMFBNGOMO-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.99
Rot. Bonds4

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

5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one (PubChem CID 136957174) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one
PubChem CID136957174
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one
SMILESCC(CNc1nc[nH]c(=O)c1Br)C1CC1
InChIInChI=1S/C10H14BrN3O/c1-6(7-2-3-7)4-12-9-8(11)10(15)14-5-13-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyGDKKVGMFBNGOMO-UHFFFAOYSA-N
XLogP1.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one
CID 136978155
4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136817755
5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one
CID 136955873
5-bromo-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136955885
5-bromo-4-(piperidin-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136977748
5-bromo-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136823717
5-bromo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956821
5-bromo-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136975161
5-bromo-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one
CID 136956879
5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786652
5-bromo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955956
5-bromo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857191

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one (CID 136957174) is 5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one is CC(CNc1nc[nH]c(=O)c1Br)C1CC1.
What is the InChIKey of 5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is GDKKVGMFBNGOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-6(7-2-3-7)4-12-9-8(11)10(15)14-5-13-9/h5-7H,2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 272.15 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).