N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine

C12H13N3O — CID 91342021

IUPACN-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(C)n2)cc1
InChIInChI=1S/C12H13N3O/c1-9-13-8-7-12(14-9)15-10-3-5-11(16-2)6-4-10/h3-8H,1-2H3,(H,13,14,15)
InChIKeyHYAVFBZJTYLUKT-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.54
Rot. Bonds3

About N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine

N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine (PubChem CID 91342021) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
PubChem CID91342021
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(C)n2)cc1
InChIInChI=1S/C12H13N3O/c1-9-13-8-7-12(14-9)15-10-3-5-11(16-2)6-4-10/h3-8H,1-2H3,(H,13,14,15)
InChIKeyHYAVFBZJTYLUKT-UHFFFAOYSA-N
XLogP2.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-methyl-N-phenylpyrimidin-4-amine
CID 90727503
N-[4-(chloromethyl)phenyl]-2-methylpyrimidin-4-amine
CID 65029159
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
4-methoxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748569
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112899527
4-N-(4-bromophenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892589
6-N-(4-methoxyphenyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877038
2-N-(4-methoxyphenyl)-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112904779
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine
CID 112901716
N-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 90956570
N-(4-methoxyphenyl)pyridazin-3-amine
CID 121218984
4-N-(3,5-dimethylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865267

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine (CID 91342021) is N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine is COc1ccc(Nc2ccnc(C)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is HYAVFBZJTYLUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-13-8-7-12(14-9)15-10-3-5-11(16-2)6-4-10/h3-8H,1-2H3,(H,13,14,15).
What are the key properties of N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine?
N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine has a molecular weight of 215.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 91342021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).