N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine

C14H22ClN3O — CID 112635634

IUPACN-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(NC2(CCl)CCC(C)CC2)n1
InChIInChI=1S/C14H22ClN3O/c1-10-4-6-14(9-15,7-5-10)18-13-16-11(2)8-12(17-13)19-3/h8,10H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyPDZGYLFRLDVDJD-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.39
Rot. Bonds4

About N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine

N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine (PubChem CID 112635634) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine
PubChem CID112635634
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(NC2(CCl)CCC(C)CC2)n1
InChIInChI=1S/C14H22ClN3O/c1-10-4-6-14(9-15,7-5-10)18-13-16-11(2)8-12(17-13)19-3/h8,10H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyPDZGYLFRLDVDJD-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylcyclohexyl]methanol
CID 112637527
[4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol
CID 115974963
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620
N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methyl-1,3-thiazol-2-amine
CID 65028722
4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413883
4-methoxy-6-methyl-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671869
4-methoxy-N-(2-methoxycyclopentyl)-6-methylpyrimidin-2-amine
CID 112699094
N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine
CID 113488860
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine
CID 113371331
4-methoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 107425506
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpyrimidin-4-amine
CID 65028103

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine (CID 112635634) is N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine is COc1cc(C)nc(NC2(CCl)CCC(C)CC2)n1.
What is the InChIKey of N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine?
The InChIKey is PDZGYLFRLDVDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10-4-6-14(9-15,7-5-10)18-13-16-11(2)8-12(17-13)19-3/h8,10H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine?
N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine has a molecular weight of 283.80 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112635634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).