N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine

C13H14ClN3O — CID 66327633

IUPACN-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C13H14ClN3O/c1-18-13-8-12(16-9-17-13)15-7-6-10-2-4-11(14)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,15,16,17)
InChIKeyVBALOHPROLFTCL-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.79
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine

N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine (PubChem CID 66327633) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
PubChem CID66327633
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C13H14ClN3O/c1-18-13-8-12(16-9-17-13)15-7-6-10-2-4-11(14)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,15,16,17)
InChIKeyVBALOHPROLFTCL-UHFFFAOYSA-N
XLogP2.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327625
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66319401
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112862520
N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66324768
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859177
6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 66324894
N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80899019
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112862542
4-N-(4-chlorophenyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112862488
N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327229

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine (CID 66327633) is N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine is COc1cc(NCCc2ccc(Cl)cc2)ncn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine?
The InChIKey is VBALOHPROLFTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-18-13-8-12(16-9-17-13)15-7-6-10-2-4-11(14)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,15,16,17).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 66327633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).