N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine

C18H19N5O — CID 123915678

IUPACN-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1cc(-c2cnc(C)nc2)ncn1
InChIInChI=1S/C18H19N5O/c1-13-20-10-15(11-21-13)16-9-18(23-12-22-16)19-8-7-14-5-3-4-6-17(14)24-2/h3-6,9-12H,7-8H2,1-2H3,(H,19,22,23)
InChIKeyCHXDOFFTYLXZGS-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.91
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine

N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine (PubChem CID 123915678) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
PubChem CID123915678
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1cc(-c2cnc(C)nc2)ncn1
InChIInChI=1S/C18H19N5O/c1-13-20-10-15(11-21-13)16-9-18(23-12-22-16)19-8-7-14-5-3-4-6-17(14)24-2/h3-6,9-12H,7-8H2,1-2H3,(H,19,22,23)
InChIKeyCHXDOFFTYLXZGS-UHFFFAOYSA-N
XLogP2.91
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
CID 123763987
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine
CID 73214502
N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine
CID 73214354
N-(2-cyanoethyl)-5-[6-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]pyridine-2-carboxamide
CID 130428690
4-N-(3,5-dimethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861517
N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125177138
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
CID 123137691
4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861528
N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351185
N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 69178153
N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
CID 123861941

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine (CID 123915678) is N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine is COc1ccccc1CCNc1cc(-c2cnc(C)nc2)ncn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine?
The InChIKey is CHXDOFFTYLXZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-20-10-15(11-21-13)16-9-18(23-12-22-16)19-8-7-14-5-3-4-6-17(14)24-2/h3-6,9-12H,7-8H2,1-2H3,(H,19,22,23).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine?
N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine has a molecular weight of 321.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 123915678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).