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

C18H18FN7S — CID 167192192

IUPAC6-[(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
SMILESC=N/C(=C\C=C(/C)F)c1cnc2ncnc(NC(C)c3nnc(C)s3)c2c1
InChIInChI=1S/C18H18FN7S/c1-10(19)5-6-15(20-4)13-7-14-16(21-8-13)22-9-23-17(14)24-11(2)18-26-25-12(3)27-18/h5-9,11H,4H2,1-3H3,(H,21,22,23,24)/b10-5+,15-6-
InChIKeyYKDNSKVQESZIEZ-HOTMREQWSA-N
MW383.46 g/mol
LogP4.27
Rot. Bonds6

About 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

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 (PubChem CID 167192192) has the molecular formula C18H18FN7S and a molecular weight of 383.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID167192192
Molecular FormulaC18H18FN7S
Molecular Weight383.46 g/mol
Exact Mass383.13
IUPAC Name6-[(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
SMILESC=N/C(=C\C=C(/C)F)c1cnc2ncnc(NC(C)c3nnc(C)s3)c2c1
InChIInChI=1S/C18H18FN7S/c1-10(19)5-6-15(20-4)13-7-14-16(21-8-13)22-9-23-17(14)24-11(2)18-26-25-12(3)27-18/h5-9,11H,4H2,1-3H3,(H,21,22,23,24)/b10-5+,15-6-
InChIKeyYKDNSKVQESZIEZ-HOTMREQWSA-N
XLogP4.27
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=N/C(=C\C=C(/C)F)c1cnc2ncnc(NC(C)c3nnc(C)s3)c2c1.
What is the InChIKey of 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?
The InChIKey is YKDNSKVQESZIEZ-HOTMREQWSA-N. The full InChI is InChI=1S/C18H18FN7S/c1-10(19)5-6-15(20-4)13-7-14-16(21-8-13)22-9-23-17(14)24-11(2)18-26-25-12(3)27-18/h5-9,11H,4H2,1-3H3,(H,21,22,23,24)/b10-5+,15-6-.
What are the key properties of 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?
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 has a molecular weight of 383.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167192192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).