(2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone

C23H29N5O — CID 171345599

IUPAC(2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(c2nc(N3CCCC3)nc3c2CCC3)CC1
InChIInChI=1S/C23H29N5O/c1-17-7-2-3-8-18(17)22(29)27-15-13-26(14-16-27)21-19-9-6-10-20(19)24-23(25-21)28-11-4-5-12-28/h2-3,7-8H,4-6,9-16H2,1H3
InChIKeyTYVRECAWEAQFCJ-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.84
Rot. Bonds3

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

(2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 171345599) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID171345599
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name(2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(c2nc(N3CCCC3)nc3c2CCC3)CC1
InChIInChI=1S/C23H29N5O/c1-17-7-2-3-8-18(17)22(29)27-15-13-26(14-16-27)21-19-9-6-10-20(19)24-23(25-21)28-11-4-5-12-28/h2-3,7-8H,4-6,9-16H2,1H3
InChIKeyTYVRECAWEAQFCJ-UHFFFAOYSA-N
XLogP2.84
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 171345599) is (2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone is Cc1ccccc1C(=O)N1CCN(c2nc(N3CCCC3)nc3c2CCC3)CC1.
What is the InChIKey of (2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is TYVRECAWEAQFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-17-7-2-3-8-18(17)22(29)27-15-13-26(14-16-27)21-19-9-6-10-20(19)24-23(25-21)28-11-4-5-12-28/h2-3,7-8H,4-6,9-16H2,1H3.
What are the key properties of (2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 391.52 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-(2-pyrrolidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 171345599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).