7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C23H23N4P — CID 143077961

IUPAC7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESC1=C(Nc2ncnc3c2CCN(Cc2ccccc2)C3)CPc2ccccc21
InChIInChI=1S/C23H23N4P/c1-2-6-17(7-3-1)13-27-11-10-20-21(14-27)24-16-25-23(20)26-19-12-18-8-4-5-9-22(18)28-15-19/h1-9,12,16,28H,10-11,13-15H2,(H,24,25,26)
InChIKeyCBMCPXAXBIOIRA-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.81
Rot. Bonds4

About 7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 143077961) has the molecular formula C23H23N4P and a molecular weight of 386.44 g/mol. Its IUPAC name is 7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID143077961
Molecular FormulaC23H23N4P
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESC1=C(Nc2ncnc3c2CCN(Cc2ccccc2)C3)CPc2ccccc21
InChIInChI=1S/C23H23N4P/c1-2-6-17(7-3-1)13-27-11-10-20-21(14-27)24-16-25-23(20)26-19-12-18-8-4-5-9-22(18)28-15-19/h1-9,12,16,28H,10-11,13-15H2,(H,24,25,26)
InChIKeyCBMCPXAXBIOIRA-UHFFFAOYSA-N
XLogP3.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 143077961) is 7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is C1=C(Nc2ncnc3c2CCN(Cc2ccccc2)C3)CPc2ccccc21.
What is the InChIKey of 7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is CBMCPXAXBIOIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N4P/c1-2-6-17(7-3-1)13-27-11-10-20-21(14-27)24-16-25-23(20)26-19-12-18-8-4-5-9-22(18)28-15-19/h1-9,12,16,28H,10-11,13-15H2,(H,24,25,26).
What are the key properties of 7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 386.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N-(1,2-dihydrophosphinolin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 143077961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).