N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C23H24N4O — CID 133474026

IUPACN-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(C2CC(Nc3nc(-c4ccncc4)nc4c3CCC4)CCO2)cc1
InChIInChI=1S/C23H24N4O/c1-2-5-16(6-3-1)21-15-18(11-14-28-21)25-23-19-7-4-8-20(19)26-22(27-23)17-9-12-24-13-10-17/h1-3,5-6,9-10,12-13,18,21H,4,7-8,11,14-15H2,(H,25,26,27)
InChIKeyXJZHLNOMLUVXLB-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.36
Rot. Bonds4

About N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 133474026) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID133474026
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(C2CC(Nc3nc(-c4ccncc4)nc4c3CCC4)CCO2)cc1
InChIInChI=1S/C23H24N4O/c1-2-5-16(6-3-1)21-15-18(11-14-28-21)25-23-19-7-4-8-20(19)26-22(27-23)17-9-12-24-13-10-17/h1-3,5-6,9-10,12-13,18,21H,4,7-8,11,14-15H2,(H,25,26,27)
InChIKeyXJZHLNOMLUVXLB-UHFFFAOYSA-N
XLogP4.36
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 133474026) is N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is c1ccc(C2CC(Nc3nc(-c4ccncc4)nc4c3CCC4)CCO2)cc1.
What is the InChIKey of N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is XJZHLNOMLUVXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-5-16(6-3-1)21-15-18(11-14-28-21)25-23-19-7-4-8-20(19)26-22(27-23)17-9-12-24-13-10-17/h1-3,5-6,9-10,12-13,18,21H,4,7-8,11,14-15H2,(H,25,26,27).
What are the key properties of N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 372.47 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 133474026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).