4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C17H26N4 — CID 166260518

IUPAC4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1CN(c2ncnc3c2CCC3)CCN1C1CCCC1
InChIInChI=1S/C17H26N4/c1-13-11-20(9-10-21(13)14-5-2-3-6-14)17-15-7-4-8-16(15)18-12-19-17/h12-14H,2-11H2,1H3
InChIKeyNDTKBXPIZRMEJN-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.42
Rot. Bonds2

About 4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 166260518) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID166260518
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1CN(c2ncnc3c2CCC3)CCN1C1CCCC1
InChIInChI=1S/C17H26N4/c1-13-11-20(9-10-21(13)14-5-2-3-6-14)17-15-7-4-8-16(15)18-12-19-17/h12-14H,2-11H2,1H3
InChIKeyNDTKBXPIZRMEJN-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 166260518) is 4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CC1CN(c2ncnc3c2CCC3)CCN1C1CCCC1.
What is the InChIKey of 4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is NDTKBXPIZRMEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13-11-20(9-10-21(13)14-5-2-3-6-14)17-15-7-4-8-16(15)18-12-19-17/h12-14H,2-11H2,1H3.
What are the key properties of 4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 286.42 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyl-3-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 166260518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).