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

C18H29N5 — CID 71836317

IUPAC2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(N3CCN(C4CCN(C)CC4)CC3)n1)CCC2
InChIInChI=1S/C18H29N5/c1-14-19-17-5-3-4-16(17)18(20-14)23-12-10-22(11-13-23)15-6-8-21(2)9-7-15/h15H,3-13H2,1-2H3
InChIKeyJUSJKSJAENUITA-UHFFFAOYSA-N
MW315.47 g/mol
LogP1.49
Rot. Bonds2

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

2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 71836317) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID71836317
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC Name2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(N3CCN(C4CCN(C)CC4)CC3)n1)CCC2
InChIInChI=1S/C18H29N5/c1-14-19-17-5-3-4-16(17)18(20-14)23-12-10-22(11-13-23)15-6-8-21(2)9-7-15/h15H,3-13H2,1-2H3
InChIKeyJUSJKSJAENUITA-UHFFFAOYSA-N
XLogP1.49
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 71836317) is 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc2c(c(N3CCN(C4CCN(C)CC4)CC3)n1)CCC2.
What is the InChIKey of 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is JUSJKSJAENUITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-14-19-17-5-3-4-16(17)18(20-14)23-12-10-22(11-13-23)15-6-8-21(2)9-7-15/h15H,3-13H2,1-2H3.
What are the key properties of 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 315.47 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 71836317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).