2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine

C22H19N5O — CID 118249310

IUPAC2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1nccc(Nc2cc(-c3cnc(C)c(Oc4ccccc4)c3)ccn2)n1
InChIInChI=1S/C22H19N5O/c1-15-20(28-19-6-4-3-5-7-19)12-18(14-25-15)17-8-10-24-22(13-17)27-21-9-11-23-16(2)26-21/h3-14H,1-2H3,(H,23,24,26,27)
InChIKeyLOKPFWUQAFAKAC-UHFFFAOYSA-N
MW369.43 g/mol
LogP5.09
Rot. Bonds5

About 2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine

2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 118249310) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID118249310
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1nccc(Nc2cc(-c3cnc(C)c(Oc4ccccc4)c3)ccn2)n1
InChIInChI=1S/C22H19N5O/c1-15-20(28-19-6-4-3-5-7-19)12-18(14-25-15)17-8-10-24-22(13-17)27-21-9-11-23-16(2)26-21/h3-14H,1-2H3,(H,23,24,26,27)
InChIKeyLOKPFWUQAFAKAC-UHFFFAOYSA-N
XLogP5.09
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Lexibulin
CID 11351021
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
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
Vuf5574
CID 4046493
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine
CID 11561538
4-{[4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxypyridin-2-yl]amino}benzenesulfonamide
CID 25192275
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine (CID 118249310) is 2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine is Cc1nccc(Nc2cc(-c3cnc(C)c(Oc4ccccc4)c3)ccn2)n1.
What is the InChIKey of 2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is LOKPFWUQAFAKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15-20(28-19-6-4-3-5-7-19)12-18(14-25-15)17-8-10-24-22(13-17)27-21-9-11-23-16(2)26-21/h3-14H,1-2H3,(H,23,24,26,27).
What are the key properties of 2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine?
2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 369.43 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(6-methyl-5-phenoxy-3-pyridinyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 118249310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).