1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one

C19H22N6OS — CID 154604124

IUPAC1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one
SMILESCSc1cnc(NCC(C)CNc2ccc(-n3ccccc3=O)cn2)nc1
InChIInChI=1S/C19H22N6OS/c1-14(10-22-19-23-12-16(27-2)13-24-19)9-20-17-7-6-15(11-21-17)25-8-4-3-5-18(25)26/h3-8,11-14H,9-10H2,1-2H3,(H,20,21)(H,22,23,24)
InChIKeyNRPDXDYOMHQAOX-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.90
Rot. Bonds8

About 1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one

1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one (PubChem CID 154604124) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one
PubChem CID154604124
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one
SMILESCSc1cnc(NCC(C)CNc2ccc(-n3ccccc3=O)cn2)nc1
InChIInChI=1S/C19H22N6OS/c1-14(10-22-19-23-12-16(27-2)13-24-19)9-20-17-7-6-15(11-21-17)25-8-4-3-5-18(25)26/h3-8,11-14H,9-10H2,1-2H3,(H,20,21)(H,22,23,24)
InChIKeyNRPDXDYOMHQAOX-UHFFFAOYSA-N
XLogP2.90
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-cyclopropyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330260
Pyrido-[2,3-d]-pyrimidin-7-one 20
CID 5330262
8-cyclohexyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330263
8-cyclopentyl-6-fluoro-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330265
Pyrido-[2,3-d]-pyrimidin-7-one 23
CID 5330266
8-cyclopentyl-6-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330267
Pyrido-[2,3-d]-pyrimidin-7-one 25
CID 5330268
Pyrido[2,3-d]pyriMidin-7(8H)-one, 8-cyclopentyl-5-Methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]aMino]-
CID 5330281
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 22
CID 5330208
8-cyclopentyl-6-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one hydrochloride
CID 10194980
6-amino-8-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one hydrochloride
CID 11374140
N-[3-[[2-[[6-(dimethylamino)-3-pyridinyl]amino]-5-methylsulfinylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 73438272

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one (CID 154604124) is 1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one is CSc1cnc(NCC(C)CNc2ccc(-n3ccccc3=O)cn2)nc1.
What is the InChIKey of 1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one?
The InChIKey is NRPDXDYOMHQAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-14(10-22-19-23-12-16(27-2)13-24-19)9-20-17-7-6-15(11-21-17)25-8-4-3-5-18(25)26/h3-8,11-14H,9-10H2,1-2H3,(H,20,21)(H,22,23,24).
What are the key properties of 1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one?
1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one has a molecular weight of 382.49 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 154604124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).