5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one

C10H14BrN3O — CID 136970736

IUPAC5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Br)C1CCCC1
InChIInChI=1S/C10H14BrN3O/c1-14(7-4-2-3-5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyWEFMQMUDNXWYJP-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.91
Rot. Bonds2

About 5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136970736) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136970736
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Br)C1CCCC1
InChIInChI=1S/C10H14BrN3O/c1-14(7-4-2-3-5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyWEFMQMUDNXWYJP-UHFFFAOYSA-N
XLogP1.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-[3-(cyclopentylamino)propyl]-6-methylpyrimidin-4-one
CID 66310481
6-(Cyclopentylamino)-3-methyl-3,4-dihydropyrimidin-4-one
CID 134160401
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-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780969
5-bromo-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780976
5-bromo-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781010
5-bromo-4-[5-bromopentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136829846
4-[5-aminopentyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136829854
5-Bromo-6-(cyclopentylamino)pyrimidin-4(3H)-one
CID 136854286
5-bromo-4-[(2-ethylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136857223
5-bromo-4-[(2-bromocyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136859487

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one (CID 136970736) is 5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1Br)C1CCCC1.
What is the InChIKey of 5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is WEFMQMUDNXWYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-14(7-4-2-3-5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 272.15 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[cyclopentyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136970736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).