5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one

C11H15Cl2N3O — CID 136859489

IUPAC5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Cl)C1CCCCC1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-16(8-5-3-2-4-7(8)12)10-9(13)11(17)15-6-14-10/h6-8H,2-5H2,1H3,(H,14,15,17)
InChIKeyYRPOYZUHYASQLA-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.41
Rot. Bonds2

About 5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one

5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one (PubChem CID 136859489) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one
PubChem CID136859489
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Cl)C1CCCCC1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-16(8-5-3-2-4-7(8)12)10-9(13)11(17)15-6-14-10/h6-8H,2-5H2,1H3,(H,14,15,17)
InChIKeyYRPOYZUHYASQLA-UHFFFAOYSA-N
XLogP2.41
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-[[2-(chloromethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136747500
5-chloro-4-(6-chlorohexylamino)-1H-pyrimidin-6-one
CID 136755785
5-chloro-4-(5-chloropentylamino)-1H-pyrimidin-6-one
CID 136759226
5-chloro-4-[5-chloropentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136829848
5-bromo-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136859490
4-[(2-chlorocyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136859491
5-chloro-4-(4-chloropentylamino)-1H-pyrimidin-6-one
CID 136902370
5-chloro-4-[2-(2-chloropropyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136933992
5-chloro-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one
CID 136970664
5-chloro-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136970669
5-chloro-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136970677
5-chloro-4-(4-chloropiperidin-1-yl)-1H-pyrimidin-6-one
CID 136971769

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one (CID 136859489) is 5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1Cl)C1CCCCC1Cl.
What is the InChIKey of 5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The InChIKey is YRPOYZUHYASQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-16(8-5-3-2-4-7(8)12)10-9(13)11(17)15-6-14-10/h6-8H,2-5H2,1H3,(H,14,15,17).
What are the key properties of 5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one has a molecular weight of 276.17 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-chlorocyclohexyl)-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136859489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).