8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one

C19H25N5O — CID 142118141

IUPAC8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESC/C=C\C(=C/C)c1cc2cnc(NC3CCCCC3)nc2n(N)c1=O
InChIInChI=1S/C19H25N5O/c1-3-8-13(4-2)16-11-14-12-21-19(22-15-9-6-5-7-10-15)23-17(14)24(20)18(16)25/h3-4,8,11-12,15H,5-7,9-10,20H2,1-2H3,(H,21,22,23)/b8-3-,13-4+
InChIKeyDIXLZWKNRJHSEM-FDHJNFDVSA-N
MW339.44 g/mol
LogP3.23
Rot. Bonds4

About 8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one

8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 142118141) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID142118141
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESC/C=C\C(=C/C)c1cc2cnc(NC3CCCCC3)nc2n(N)c1=O
InChIInChI=1S/C19H25N5O/c1-3-8-13(4-2)16-11-14-12-21-19(22-15-9-6-5-7-10-15)23-17(14)24(20)18(16)25/h3-4,8,11-12,15H,5-7,9-10,20H2,1-2H3,(H,21,22,23)/b8-3-,13-4+
InChIKeyDIXLZWKNRJHSEM-FDHJNFDVSA-N
XLogP3.23
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954287
8-amino-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551749
2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide
CID 142289485
N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
CID 21039989
acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 143885415
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71242271
8-cyclopentyl-6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253054
N-cycloheptyl-6-methylquinazolin-2-amine
CID 176973176
N-cyclohexyl-6-methylquinazolin-2-amine
CID 156833151
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one
CID 46188425

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one (CID 142118141) is 8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one is C/C=C\C(=C/C)c1cc2cnc(NC3CCCCC3)nc2n(N)c1=O.
What is the InChIKey of 8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DIXLZWKNRJHSEM-FDHJNFDVSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-8-13(4-2)16-11-14-12-21-19(22-15-9-6-5-7-10-15)23-17(14)24(20)18(16)25/h3-4,8,11-12,15H,5-7,9-10,20H2,1-2H3,(H,21,22,23)/b8-3-,13-4+.
What are the key properties of 8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one?
8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 339.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-(cyclohexylamino)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 142118141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).