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

C9H14BrN3O — CID 136955934

IUPAC5-bromo-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(C)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O/c1-3-4-6(2)13-8-7(10)9(14)12-5-11-8/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyJHYZYUQUNKQVEM-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.13
Rot. Bonds4

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

5-bromo-4-(pentan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136955934) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-bromo-4-(pentan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136955934
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name5-bromo-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(C)Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O/c1-3-4-6(2)13-8-7(10)9(14)12-5-11-8/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyJHYZYUQUNKQVEM-UHFFFAOYSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786688
5-bromo-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957050
5-bromo-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957056
5-bromo-4-(1,1-difluoropropan-2-ylamino)-1H-pyrimidin-6-one
CID 137257859
5-bromo-4-(1,1,1-trifluoropropan-2-ylamino)-1H-pyrimidin-6-one
CID 137265152
5-Bromo-6-[(3,3-difluorocyclobutyl)amino]-3,4-dihydropyrimidin-4-one
CID 164651910
4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136689849
5-bromo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731504
5-bromo-4-(hex-5-ynylamino)-1H-pyrimidin-6-one
CID 136736684
5-bromo-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750468
4-(6-aminohexylamino)-5-bromo-1H-pyrimidin-6-one
CID 136755775
4-[(1-amino-3-methylpentan-3-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136757203

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(pentan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(pentan-2-ylamino)-1H-pyrimidin-6-one (CID 136955934) is 5-bromo-4-(pentan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(pentan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(pentan-2-ylamino)-1H-pyrimidin-6-one is CCCC(C)Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(pentan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is JHYZYUQUNKQVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-3-4-6(2)13-8-7(10)9(14)12-5-11-8/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-bromo-4-(pentan-2-ylamino)-1H-pyrimidin-6-one?
5-bromo-4-(pentan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 260.13 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(pentan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).