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

C12H18BrN3O — CID 136786652

IUPAC5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCCC(CNc2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C12H18BrN3O/c1-8-3-2-4-9(5-8)6-14-11-10(13)12(17)16-7-15-11/h7-9H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyLNDRXGXPBBZFBM-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.77
Rot. Bonds3

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

5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136786652) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136786652
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCCC(CNc2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C12H18BrN3O/c1-8-3-2-4-9(5-8)6-14-11-10(13)12(17)16-7-15-11/h7-9H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyLNDRXGXPBBZFBM-UHFFFAOYSA-N
XLogP2.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one
CID 136956879
5-bromo-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956018
5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
CID 136975876
5-bromo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956821
5-bromo-4-[(3-methylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136957244
5-bromo-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956337
5-chloro-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823134
5-bromo-4-[(3,5-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956825
5-bromo-4-[2-(cyclopropylmethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136764981
5-bromo-4-(2-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 136957174

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136786652) is 5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is CC1CCCC(CNc2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is LNDRXGXPBBZFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8-3-2-4-9(5-8)6-14-11-10(13)12(17)16-7-15-11/h7-9H,2-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 300.20 g/mol, XLogP of 2.77, 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-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136786652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).