1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C14H17N5OS — CID 95840649

IUPAC1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(C)nc(Nc3ncc(C)s3)c2C1
InChIInChI=1S/C14H17N5OS/c1-8-6-15-14(21-8)18-13-11-7-19(10(3)20)5-4-12(11)16-9(2)17-13/h6H,4-5,7H2,1-3H3,(H,15,16,17,18)
InChIKeyLNSIDNXAEURDKW-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.20
Rot. Bonds2

About 1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 95840649) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID95840649
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(C)nc(Nc3ncc(C)s3)c2C1
InChIInChI=1S/C14H17N5OS/c1-8-6-15-14(21-8)18-13-11-7-19(10(3)20)5-4-12(11)16-9(2)17-13/h6H,4-5,7H2,1-3H3,(H,15,16,17,18)
InChIKeyLNSIDNXAEURDKW-UHFFFAOYSA-N
XLogP2.20
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone with MolForge

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Related Compounds

cyclohexyl-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 95840651
1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95825744
1-[2-methyl-4-(4-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone;hydrate
CID 19883239
1-[3-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 155985320
tert-butyl 4-(aminomethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 144890974
5-amino-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxamide
CID 114405171
1-[2-[(3R)-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92559324
cyclohexyl-[2-methyl-4-(pyridin-2-ylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methanone
CID 124991139
1-[4-[[(2S)-2-hydroxy-3-methoxypropyl]amino]-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 95144045
1-[2-methyl-4-(2-pyridin-2-ylsulfanylethylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 50979593
6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136693506
[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110269486

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 95840649) is 1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CC(=O)N1CCc2nc(C)nc(Nc3ncc(C)s3)c2C1.
What is the InChIKey of 1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is LNSIDNXAEURDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-8-6-15-14(21-8)18-13-11-7-19(10(3)20)5-4-12(11)16-9(2)17-13/h6H,4-5,7H2,1-3H3,(H,15,16,17,18).
What are the key properties of 1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 303.39 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 95840649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).