[6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea

C16H20N6O — CID 142199742

IUPAC[6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea
SMILESC/C=C\C(=C/CC)c1cc2cnc(NC)nc2nc1NC(N)=O
InChIInChI=1S/C16H20N6O/c1-4-6-10(7-5-2)12-8-11-9-19-16(18-3)22-13(11)20-14(12)21-15(17)23/h4,6-9H,5H2,1-3H3,(H4,17,18,19,20,21,22,23)/b6-4-,10-7+
InChIKeyRYOQQGPZHLOBNQ-BSAFSDHNSA-N
MW312.38 g/mol
LogP2.93
Rot. Bonds5

About [6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea

[6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea (PubChem CID 142199742) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is [6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea.

Molecular Properties

Compound Name[6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea
PubChem CID142199742
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name[6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea
SMILESC/C=C\C(=C/CC)c1cc2cnc(NC)nc2nc1NC(N)=O
InChIInChI=1S/C16H20N6O/c1-4-6-10(7-5-2)12-8-11-9-19-16(18-3)22-13(11)20-14(12)21-15(17)23/h4,6-9H,5H2,1-3H3,(H4,17,18,19,20,21,22,23)/b6-4-,10-7+
InChIKeyRYOQQGPZHLOBNQ-BSAFSDHNSA-N
XLogP2.93
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The IUPAC name of [6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea (CID 142199742) is [6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea.
What is the SMILES notation for [6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The canonical SMILES for [6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea is C/C=C\C(=C/CC)c1cc2cnc(NC)nc2nc1NC(N)=O.
What is the InChIKey of [6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The InChIKey is RYOQQGPZHLOBNQ-BSAFSDHNSA-N. The full InChI is InChI=1S/C16H20N6O/c1-4-6-10(7-5-2)12-8-11-9-19-16(18-3)22-13(11)20-14(12)21-15(17)23/h4,6-9H,5H2,1-3H3,(H4,17,18,19,20,21,22,23)/b6-4-,10-7+.
What are the key properties of [6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea?
[6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea has a molecular weight of 312.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-yl]urea is sourced from PubChem (CID 142199742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).