4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C22H26N6 — CID 25378321

IUPAC4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCn1cc(CN2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)cn1
InChIInChI=1S/C22H26N6/c1-26-15-17(14-23-26)16-27-10-12-28(13-11-27)22-19-8-5-9-20(19)24-21(25-22)18-6-3-2-4-7-18/h2-4,6-7,14-15H,5,8-13,16H2,1H3
InChIKeyYMDULJNYXRNZKN-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.69
Rot. Bonds4

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

4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 25378321) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID25378321
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCn1cc(CN2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)cn1
InChIInChI=1S/C22H26N6/c1-26-15-17(14-23-26)16-27-10-12-28(13-11-27)22-19-8-5-9-20(19)24-21(25-22)18-6-3-2-4-7-18/h2-4,6-7,14-15H,5,8-13,16H2,1H3
InChIKeyYMDULJNYXRNZKN-UHFFFAOYSA-N
XLogP2.69
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 25378321) is 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cn1cc(CN2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)cn1.
What is the InChIKey of 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is YMDULJNYXRNZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-26-15-17(14-23-26)16-27-10-12-28(13-11-27)22-19-8-5-9-20(19)24-21(25-22)18-6-3-2-4-7-18/h2-4,6-7,14-15H,5,8-13,16H2,1H3.
What are the key properties of 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 374.49 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 25378321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).