N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine

C12H18ClN3 — CID 106365718

IUPACN-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC2CCCCC2CCl)nc1
InChIInChI=1S/C12H18ClN3/c1-9-7-14-12(15-8-9)16-11-5-3-2-4-10(11)6-13/h7-8,10-11H,2-6H2,1H3,(H,14,15,16)
InChIKeyDPTGZHUZRVDRCG-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.99
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine

N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine (PubChem CID 106365718) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine
PubChem CID106365718
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC2CCCCC2CCl)nc1
InChIInChI=1S/C12H18ClN3/c1-9-7-14-12(15-8-9)16-11-5-3-2-4-10(11)6-13/h7-8,10-11H,2-6H2,1H3,(H,14,15,16)
InChIKeyDPTGZHUZRVDRCG-UHFFFAOYSA-N
XLogP2.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.99
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

N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine
CID 106365543
5-methyl-N-(2-methylcyclohexyl)pyrimidin-2-amine
CID 63208068
5-methyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103858164
N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine
CID 106365406
N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 106365704
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
5-methyl-N-(2-methylcyclopropyl)pyrimidin-2-amine
CID 63208440
N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106365613
N-[2-(chloromethyl)cyclohexyl]-2-methoxypyridin-4-amine
CID 106365699
N-[2-(chloromethyl)cyclopentyl]-2-methylpyrimidin-4-amine
CID 106365424
N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 114179316
N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 114179340

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine (CID 106365718) is N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine is Cc1cnc(NC2CCCCC2CCl)nc1.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine?
The InChIKey is DPTGZHUZRVDRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-9-7-14-12(15-8-9)16-11-5-3-2-4-10(11)6-13/h7-8,10-11H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine?
N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 106365718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).