8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine

C22H22N4O — CID 70111674

IUPAC8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESC1=Cc2cnc(Nc3ccccc3)nc2N(CCCOc2ccccc2)C1
InChIInChI=1S/C22H22N4O/c1-3-10-19(11-4-1)24-22-23-17-18-9-7-14-26(21(18)25-22)15-8-16-27-20-12-5-2-6-13-20/h1-7,9-13,17H,8,14-16H2,(H,23,24,25)
InChIKeyUABWYINDNOEMHI-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.52
Rot. Bonds7

About 8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine

8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 70111674) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID70111674
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESC1=Cc2cnc(Nc3ccccc3)nc2N(CCCOc2ccccc2)C1
InChIInChI=1S/C22H22N4O/c1-3-10-19(11-4-1)24-22-23-17-18-9-7-14-26(21(18)25-22)15-8-16-27-20-12-5-2-6-13-20/h1-7,9-13,17H,8,14-16H2,(H,23,24,25)
InChIKeyUABWYINDNOEMHI-UHFFFAOYSA-N
XLogP4.52
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 70111674) is 8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine is C1=Cc2cnc(Nc3ccccc3)nc2N(CCCOc2ccccc2)C1.
What is the InChIKey of 8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is UABWYINDNOEMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-3-10-19(11-4-1)24-22-23-17-18-9-7-14-26(21(18)25-22)15-8-16-27-20-12-5-2-6-13-20/h1-7,9-13,17H,8,14-16H2,(H,23,24,25).
What are the key properties of 8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 358.45 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 70111674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).