N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine

C14H16ClN3 — CID 78845412

IUPACN-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C14H16ClN3/c1-10-8-11(2)18-14(17-10)16-7-6-12-4-3-5-13(15)9-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,17,18)
InChIKeySOHJIGFMSLSMNX-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.40
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine

N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 78845412) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID78845412
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C14H16ClN3/c1-10-8-11(2)18-14(17-10)16-7-6-12-4-3-5-13(15)9-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,17,18)
InChIKeySOHJIGFMSLSMNX-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023
2-N-[2-(3-chlorophenyl)ethyl]-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112926269
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926552
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911945
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 112913490
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917787
2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924756
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917241
N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112926547
2-N-(4-chlorophenyl)-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112926476
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322171
2-[2-(3-chlorophenyl)ethylamino]-N-(2,3-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334305

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine (CID 78845412) is N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NCCc2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is SOHJIGFMSLSMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-8-11(2)18-14(17-10)16-7-6-12-4-3-5-13(15)9-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine?
N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 261.76 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 78845412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).