5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

C11H16BrN3O — CID 136867386

IUPAC5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCC(CNc2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C11H16BrN3O/c1-7-2-3-8(4-7)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyAZKHHPNUIVNIGZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.38
Rot. Bonds3

About 5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136867386) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136867386
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCC(CNc2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C11H16BrN3O/c1-7-2-3-8(4-7)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyAZKHHPNUIVNIGZ-UHFFFAOYSA-N
XLogP2.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-1-cyclopentylethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136672020
5-bromo-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701816
5-bromo-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701824
5-bromo-4-[2-(2-chloroethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704116
5-bromo-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723586
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
5-bromo-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136762608
5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786652
4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136817755
5-bromo-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136825671

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136867386) is 5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is CC1CCC(CNc2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is AZKHHPNUIVNIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-7-2-3-8(4-7)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 286.17 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136867386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).