N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine

C13H20ClN3O2 — CID 113293077

IUPACN-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCC2CCCCC2Cl)n1
InChIInChI=1S/C13H20ClN3O2/c1-18-11-7-12(19-2)17-13(16-11)15-8-9-5-3-4-6-10(9)14/h7,9-10H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyFDNRIBCYSQLUGZ-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.70
Rot. Bonds5

About N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine

N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine (PubChem CID 113293077) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine
PubChem CID113293077
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCC2CCCCC2Cl)n1
InChIInChI=1S/C13H20ClN3O2/c1-18-11-7-12(19-2)17-13(16-11)15-8-9-5-3-4-6-10(9)14/h7,9-10H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyFDNRIBCYSQLUGZ-UHFFFAOYSA-N
XLogP2.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
2-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115354770
4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine
CID 167931813
4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 115355065
N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639314
4,6-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
CID 115355062
N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
CID 115354929
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyrazin-2-amine
CID 65028885
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine
CID 65029145
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 115355198
N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine
CID 65028110
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine (CID 113293077) is N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine is COc1cc(OC)nc(NCC2CCCCC2Cl)n1.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is FDNRIBCYSQLUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-18-11-7-12(19-2)17-13(16-11)15-8-9-5-3-4-6-10(9)14/h7,9-10H,3-6,8H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine?
N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 285.77 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 113293077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).