2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine

C14H16ClN3O — CID 62476087

IUPAC2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(C)nc(Cl)n2)cc1
InChIInChI=1S/C14H16ClN3O/c1-10-9-13(18-14(15)17-10)16-8-7-11-3-5-12(19-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyFHTUYDYOWWAVMA-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.10
Rot. Bonds5

About 2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine

2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine (PubChem CID 62476087) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
PubChem CID62476087
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(C)nc(Cl)n2)cc1
InChIInChI=1S/C14H16ClN3O/c1-10-9-13(18-14(15)17-10)16-8-7-11-3-5-12(19-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyFHTUYDYOWWAVMA-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112917972
2-N-[(2-chlorophenyl)methyl]-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112917867
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 114165599
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112921302
2-N-(3-chloro-2-methylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921332
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112921379
2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 83074583
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916769
2-N-(2,4-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921312
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine (CID 62476087) is 2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine is COc1ccc(CCNc2cc(C)nc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine?
The InChIKey is FHTUYDYOWWAVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-9-13(18-14(15)17-10)16-8-7-11-3-5-12(19-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine?
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62476087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).