3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine

C18H22N6OS — CID 155728957

IUPAC3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine
SMILESC=C(O)C(C)Nc1ncnc2ncc(-c3ncc(C)s3)cc12.[H]N=C(C)C
InChIInChI=1S/C15H15N5OS.C3H7N/c1-8-5-17-15(22-8)11-4-12-13(16-6-11)18-7-19-14(12)20-9(2)10(3)21;1-3(2)4/h4-7,9,21H,3H2,1-2H3,(H,16,18,19,20);4H,1-2H3
InChIKeyOQQRFGHIMVZTQI-UHFFFAOYSA-N
MW370.48 g/mol
LogP4.37
Rot. Bonds4

About 3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine

3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine (PubChem CID 155728957) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine.

Molecular Properties

Compound Name3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine
PubChem CID155728957
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine
SMILESC=C(O)C(C)Nc1ncnc2ncc(-c3ncc(C)s3)cc12.[H]N=C(C)C
InChIInChI=1S/C15H15N5OS.C3H7N/c1-8-5-17-15(22-8)11-4-12-13(16-6-11)18-7-19-14(12)20-9(2)10(3)21;1-3(2)4/h4-7,9,21H,3H2,1-2H3,(H,16,18,19,20);4H,1-2H3
InChIKeyOQQRFGHIMVZTQI-UHFFFAOYSA-N
XLogP4.37
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(Z)-but-2-en-2-yl]sulfanylbut-3-en-2-yl]-6-(5-methyl-1,3-thiazol-2-yl)-8-(oxan-4-yloxy)quinazolin-4-amine
CID 155728763
6-(5-methyl-2-pyridinyl)-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 155339494
8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine
CID 155728834
ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 63616724
5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole
CID 166922343
6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
CID 162767928
2-(8-methoxy-4-methylquinazolin-6-yl)-5-methyl-1,3-thiazole
CID 155354082
6-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 167192192
4-methoxy-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 63618230
6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
CID 162767956
2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
CID 155339418
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine?
The IUPAC name of 3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine (CID 155728957) is 3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine.
What is the SMILES notation for 3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine?
The canonical SMILES for 3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine is C=C(O)C(C)Nc1ncnc2ncc(-c3ncc(C)s3)cc12.[H]N=C(C)C.
What is the InChIKey of 3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine?
The InChIKey is OQQRFGHIMVZTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS.C3H7N/c1-8-5-17-15(22-8)11-4-12-13(16-6-11)18-7-19-14(12)20-9(2)10(3)21;1-3(2)4/h4-7,9,21H,3H2,1-2H3,(H,16,18,19,20);4H,1-2H3.
What are the key properties of 3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine?
3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine has a molecular weight of 370.48 g/mol, XLogP of 4.37, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(5-methyl-1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-4-yl]amino]but-1-en-2-ol;propan-2-imine is sourced from PubChem (CID 155728957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).