N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine

C14H16ClN3O — CID 115634860

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCOc1cccc(Cl)c1CNCc1ccnc(C)n1
InChIInChI=1S/C14H16ClN3O/c1-10-17-7-6-11(18-10)8-16-9-12-13(15)4-3-5-14(12)19-2/h3-7,16H,8-9H2,1-2H3
InChIKeyIQJVXJQNWWJZJZ-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.74
Rot. Bonds5

About N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine

N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 115634860) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
PubChem CID115634860
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCOc1cccc(Cl)c1CNCc1ccnc(C)n1
InChIInChI=1S/C14H16ClN3O/c1-10-17-7-6-11(18-10)8-16-9-12-13(15)4-3-5-14(12)19-2/h3-7,16H,8-9H2,1-2H3
InChIKeyIQJVXJQNWWJZJZ-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 61016172
1-(2-chloro-6-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 115634865
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 103864362
2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 47312763
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62747167
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 115634843
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 104624373
2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol
CID 103291995
1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 106816664
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 103934009
2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol
CID 103292077

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine (CID 115634860) is N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine is COc1cccc(Cl)c1CNCc1ccnc(C)n1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is IQJVXJQNWWJZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-17-7-6-11(18-10)8-16-9-12-13(15)4-3-5-14(12)19-2/h3-7,16H,8-9H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 277.76 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 115634860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).