7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

About 7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 95799511) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name	7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID	95799511
Molecular Formula	C25H30FN5O
Molecular Weight	435.55 g/mol
Exact Mass	435.24
IUPAC Name	7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILES	CC(C)OCCCNc1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(F)cc1)C2
InChI	InChI=1S/C25H30FN5O/c1-18(2)32-15-5-13-28-24-21-11-14-31(16-19-7-9-20(26)10-8-19)17-23(21)29-25(30-24)22-6-3-4-12-27-22/h3-4,6-10,12,18H,5,11,13-17H2,1-2H3,(H,28,29,30)
InChIKey	ZRYDMAFACFECLX-UHFFFAOYSA-N
XLogP	4.46
TPSA	63.17 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The IUPAC name of 7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 95799511) is 7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CC(C)OCCCNc1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(F)cc1)C2.

What is the InChIKey of 7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The InChIKey is ZRYDMAFACFECLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O/c1-18(2)32-15-5-13-28-24-21-11-14-31(16-19-7-9-20(26)10-8-19)17-23(21)29-25(30-24)22-6-3-4-12-27-22/h3-4,6-10,12,18H,5,11,13-17H2,1-2H3,(H,28,29,30).

What are the key properties of 7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 435.55 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-fluorophenyl)methyl]-N-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95799511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).