4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine

C16H24N4 — CID 117211621

IUPAC4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine
SMILESc1nc(C2CC2)nc(C2CCCC2)c1N1CCNCC1
InChIInChI=1S/C16H24N4/c1-2-4-12(3-1)15-14(20-9-7-17-8-10-20)11-18-16(19-15)13-5-6-13/h11-13,17H,1-10H2
InChIKeyDGHZKIUJRVBCBW-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.42
Rot. Bonds3

About 4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine

4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine (PubChem CID 117211621) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine
PubChem CID117211621
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine
SMILESc1nc(C2CC2)nc(C2CCCC2)c1N1CCNCC1
InChIInChI=1S/C16H24N4/c1-2-4-12(3-1)15-14(20-9-7-17-8-10-20)11-18-16(19-15)13-5-6-13/h11-13,17H,1-10H2
InChIKeyDGHZKIUJRVBCBW-UHFFFAOYSA-N
XLogP2.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclohexyl-4-cyclopropylpyrimidin-5-yl)piperidin-4-amine
CID 117211421
4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine
CID 117211662
4-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117211014
2-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117212418
2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol
CID 136934525
4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine
CID 117211492
5-bromo-2-cyclopentyl-4-cyclopropylpyrimidine
CID 82374795
2-cyclopentyl-4,6-dimethyl-5-piperazin-1-ylpyrimidine
CID 117212544
3-cyclobutyl-5-piperazin-1-yl-1,2,4-triazine
CID 116824028
1-(4-cyclopentyl-2-ethylpyrimidin-5-yl)piperidin-4-amine
CID 117211578
[4-cyclohexyl-2-(3,3-difluorocyclobutyl)pyrimidin-5-yl]boronic acid
CID 169249013
1-(2-cyclobutyl-4-ethylpyrimidin-5-yl)piperidin-4-amine
CID 117212011

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine?
The IUPAC name of 4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine (CID 117211621) is 4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine is c1nc(C2CC2)nc(C2CCCC2)c1N1CCNCC1.
What is the InChIKey of 4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine?
The InChIKey is DGHZKIUJRVBCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-4-12(3-1)15-14(20-9-7-17-8-10-20)11-18-16(19-15)13-5-6-13/h11-13,17H,1-10H2.
What are the key properties of 4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine?
4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine has a molecular weight of 272.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine is sourced from PubChem (CID 117211621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).