[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone

C22H22N6O — CID 56702625

IUPAC[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C22H22N6O/c29-22(19-9-10-23-15-24-19)28-13-11-27(12-14-28)21-17-7-4-8-18(17)25-20(26-21)16-5-2-1-3-6-16/h1-3,5-6,9-10,15H,4,7-8,11-14H2
InChIKeyQOINTJHRZXMCBL-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.38
Rot. Bonds3

About [4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone

[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 56702625) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is [4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID56702625
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C22H22N6O/c29-22(19-9-10-23-15-24-19)28-13-11-27(12-14-28)21-17-7-4-8-18(17)25-20(26-21)16-5-2-1-3-6-16/h1-3,5-6,9-10,15H,4,7-8,11-14H2
InChIKeyQOINTJHRZXMCBL-UHFFFAOYSA-N
XLogP2.38
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone (CID 56702625) is [4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1.
What is the InChIKey of [4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is QOINTJHRZXMCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c29-22(19-9-10-23-15-24-19)28-13-11-27(12-14-28)21-17-7-4-8-18(17)25-20(26-21)16-5-2-1-3-6-16/h1-3,5-6,9-10,15H,4,7-8,11-14H2.
What are the key properties of [4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone?
[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 386.46 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 56702625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).