N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine

C12H13N3O — CID 110455016

IUPACN-(4-methoxyphenyl)-N-methylpyrimidin-5-amine
SMILESCOc1ccc(N(C)c2cncnc2)cc1
InChIInChI=1S/C12H13N3O/c1-15(11-7-13-9-14-8-11)10-3-5-12(16-2)6-4-10/h3-9H,1-2H3
InChIKeyFMRLCSMGWOLOKX-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.25
Rot. Bonds3

About N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine

N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine (PubChem CID 110455016) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methylpyrimidin-5-amine
PubChem CID110455016
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(4-methoxyphenyl)-N-methylpyrimidin-5-amine
SMILESCOc1ccc(N(C)c2cncnc2)cc1
InChIInChI=1S/C12H13N3O/c1-15(11-7-13-9-14-8-11)10-3-5-12(16-2)6-4-10/h3-9H,1-2H3
InChIKeyFMRLCSMGWOLOKX-UHFFFAOYSA-N
XLogP2.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
3-N-ethyl-5-N-(4-methoxyphenyl)-5-N-methylpyridine-3,5-diamine
CID 104534077
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
1-(4-methoxyphenyl)-1,2,2-trimethylhydrazine
CID 130402433
3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine
CID 110455032
2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine
CID 80653743
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline
CID 110455054
N-(4-methoxyphenyl)-N,3-dimethylaniline
CID 58090553
N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
CID 83121943
4-[(6-methoxynaphthalen-2-yl)-methylamino]phenol
CID 14499224

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine (CID 110455016) is N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine is COc1ccc(N(C)c2cncnc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine?
The InChIKey is FMRLCSMGWOLOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15(11-7-13-9-14-8-11)10-3-5-12(16-2)6-4-10/h3-9H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine?
N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine has a molecular weight of 215.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine is sourced from PubChem (CID 110455016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).