6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide

C19H25N7O3S — CID 130268085

IUPAC6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
SMILESCC(=O)N1CC(Nc2cc(C(=O)NC[C@H](O)CN3CCc4scnc4C3)ncn2)C1
InChIInChI=1S/C19H25N7O3S/c1-12(27)26-6-13(7-26)24-18-4-15(21-10-22-18)19(29)20-5-14(28)8-25-3-2-17-16(9-25)23-11-30-17/h4,10-11,13-14,28H,2-3,5-9H2,1H3,(H,20,29)(H,21,22,24)/t14-/m0/s1
InChIKeyCFQHJHSXVNSAIM-AWEZNQCLSA-N
MW431.52 g/mol
LogP-0.28
Rot. Bonds7

About 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide

6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide (PubChem CID 130268085) has the molecular formula C19H25N7O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
PubChem CID130268085
Molecular FormulaC19H25N7O3S
Molecular Weight431.52 g/mol
Exact Mass431.17
IUPAC Name6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
SMILESCC(=O)N1CC(Nc2cc(C(=O)NC[C@H](O)CN3CCc4scnc4C3)ncn2)C1
InChIInChI=1S/C19H25N7O3S/c1-12(27)26-6-13(7-26)24-18-4-15(21-10-22-18)19(29)20-5-14(28)8-25-3-2-17-16(9-25)23-11-30-17/h4,10-11,13-14,28H,2-3,5-9H2,1H3,(H,20,29)(H,21,22,24)/t14-/m0/s1
InChIKeyCFQHJHSXVNSAIM-AWEZNQCLSA-N
XLogP-0.28
TPSA123.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
CID 118611184
6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
CID 118611250
6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
CID 118611252
6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 118611143
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 118553956
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]amino]pyrimidine-4-carboxamide
CID 123198420
6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrimidine-4-carboxamide
CID 123608891
6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 118611172
6-[(1-butanoylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,5,6-tetrahydro-1H-isoquinolin-2-yl)propyl]pyrimidine-4-carboxamide
CID 139297417
N-[2-hydroxy-3-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 118611302
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(4-methoxycyclohexyl)amino]pyrimidine-4-carboxamide
CID 123175751
6-[(4-acetamidocyclohexyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 118553957

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide (CID 130268085) is 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide is CC(=O)N1CC(Nc2cc(C(=O)NC[C@H](O)CN3CCc4scnc4C3)ncn2)C1.
What is the InChIKey of 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide?
The InChIKey is CFQHJHSXVNSAIM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N7O3S/c1-12(27)26-6-13(7-26)24-18-4-15(21-10-22-18)19(29)20-5-14(28)8-25-3-2-17-16(9-25)23-11-30-17/h4,10-11,13-14,28H,2-3,5-9H2,1H3,(H,20,29)(H,21,22,24)/t14-/m0/s1.
What are the key properties of 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide?
6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide has a molecular weight of 431.52 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 130268085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).