N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine

C20H22N4O — CID 127036129

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine
SMILESCOc1cccc([C@H](C)Nc2cc(-c3ccnc(C)c3)nc(C)n2)c1
InChIInChI=1S/C20H22N4O/c1-13-10-17(8-9-21-13)19-12-20(24-15(3)23-19)22-14(2)16-6-5-7-18(11-16)25-4/h5-12,14H,1-4H3,(H,22,23,24)/t14-/m0/s1
InChIKeyDOTMHLBWIWMGBW-AWEZNQCLSA-N
MW334.42 g/mol
LogP4.34
Rot. Bonds5

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine

N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine (PubChem CID 127036129) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine
PubChem CID127036129
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine
SMILESCOc1cccc([C@H](C)Nc2cc(-c3ccnc(C)c3)nc(C)n2)c1
InChIInChI=1S/C20H22N4O/c1-13-10-17(8-9-21-13)19-12-20(24-15(3)23-19)22-14(2)16-6-5-7-18(11-16)25-4/h5-12,14H,1-4H3,(H,22,23,24)/t14-/m0/s1
InChIKeyDOTMHLBWIWMGBW-AWEZNQCLSA-N
XLogP4.34
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Lexibulin
CID 11351021
Zotiraciclib
CID 16739650
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine
CID 444617
Meriolin 3
CID 23727981
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine (CID 127036129) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine is COc1cccc([C@H](C)Nc2cc(-c3ccnc(C)c3)nc(C)n2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine?
The InChIKey is DOTMHLBWIWMGBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-10-17(8-9-21-13)19-12-20(24-15(3)23-19)22-14(2)16-6-5-7-18(11-16)25-4/h5-12,14H,1-4H3,(H,22,23,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine has a molecular weight of 334.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 127036129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).