1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one

C26H27N5O — CID 143209411

IUPAC1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one
SMILESCc1cccc(-c2cc(N(C)c3ccnc(NCCc4ccccc4)n3)cn(C)c2=O)c1
InChIInChI=1S/C26H27N5O/c1-19-8-7-11-21(16-19)23-17-22(18-30(2)25(23)32)31(3)24-13-15-28-26(29-24)27-14-12-20-9-5-4-6-10-20/h4-11,13,15-18H,12,14H2,1-3H3,(H,27,28,29)
InChIKeyKQROEXJCYKYCOU-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.57
Rot. Bonds7

About 1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one

1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one (PubChem CID 143209411) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one
PubChem CID143209411
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one
SMILESCc1cccc(-c2cc(N(C)c3ccnc(NCCc4ccccc4)n3)cn(C)c2=O)c1
InChIInChI=1S/C26H27N5O/c1-19-8-7-11-21(16-19)23-17-22(18-30(2)25(23)32)31(3)24-13-15-28-26(29-24)27-14-12-20-9-5-4-6-10-20/h4-11,13,15-18H,12,14H2,1-3H3,(H,27,28,29)
InChIKeyKQROEXJCYKYCOU-UHFFFAOYSA-N
XLogP4.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-methyl-2-N-(2-phenylethyl)-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 11511463
2-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112901442
4-N-[6-(4-chlorophenyl)-2-pyridinyl]-4-N-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 58617520
2-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112894601
5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 70022479
4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112895278
4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80817609
2-N-[2-(2-chlorophenyl)ethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine
CID 11553475
4-N-methyl-4-N-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893868
4-(5-methylbenzimidazol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 70111772
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 86604146

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one?
The IUPAC name of 1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one (CID 143209411) is 1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one?
The canonical SMILES for 1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one is Cc1cccc(-c2cc(N(C)c3ccnc(NCCc4ccccc4)n3)cn(C)c2=O)c1.
What is the InChIKey of 1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one?
The InChIKey is KQROEXJCYKYCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-19-8-7-11-21(16-19)23-17-22(18-30(2)25(23)32)31(3)24-13-15-28-26(29-24)27-14-12-20-9-5-4-6-10-20/h4-11,13,15-18H,12,14H2,1-3H3,(H,27,28,29).
What are the key properties of 1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one?
1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one has a molecular weight of 425.54 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylphenyl)-5-[methyl-[2-(2-phenylethylamino)pyrimidin-4-yl]amino]pyridin-2-one is sourced from PubChem (CID 143209411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).