[4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

C23H22N4O — CID 118297386

IUPAC[4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCC/C=C1/N=Cc2cc(-c3ccccc3)c(-c3ccc(CO)cc3)nc2N1N
InChIInChI=1S/C23H22N4O/c1-2-6-21-25-14-19-13-20(17-7-4-3-5-8-17)22(26-23(19)27(21)24)18-11-9-16(15-28)10-12-18/h3-14,28H,2,15,24H2,1H3/b21-6-
InChIKeyGVRNYVUVMRYLKB-MPUCSWFWSA-N
MW370.46 g/mol
LogP4.27
Rot. Bonds4

About [4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

[4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (PubChem CID 118297386) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is [4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
PubChem CID118297386
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name[4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCC/C=C1/N=Cc2cc(-c3ccccc3)c(-c3ccc(CO)cc3)nc2N1N
InChIInChI=1S/C23H22N4O/c1-2-6-21-25-14-19-13-20(17-7-4-3-5-8-17)22(26-23(19)27(21)24)18-11-9-16(15-28)10-12-18/h3-14,28H,2,15,24H2,1H3/b21-6-
InChIKeyGVRNYVUVMRYLKB-MPUCSWFWSA-N
XLogP4.27
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The IUPAC name of [4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (CID 118297386) is [4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.
What is the SMILES notation for [4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The canonical SMILES for [4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is CC/C=C1/N=Cc2cc(-c3ccccc3)c(-c3ccc(CO)cc3)nc2N1N.
What is the InChIKey of [4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The InChIKey is GVRNYVUVMRYLKB-MPUCSWFWSA-N. The full InChI is InChI=1S/C23H22N4O/c1-2-6-21-25-14-19-13-20(17-7-4-3-5-8-17)22(26-23(19)27(21)24)18-11-9-16(15-28)10-12-18/h3-14,28H,2,15,24H2,1H3/b21-6-.
What are the key properties of [4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
[4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol has a molecular weight of 370.46 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2Z)-1-amino-6-phenyl-2-propylidenepyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is sourced from PubChem (CID 118297386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).