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

C14H21N5 — CID 66203164

IUPAC4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1nc2c(c(N3CCN(C4CNC4)CC3)n1)CCC2
InChIInChI=1S/C14H21N5/c1-2-12-13(3-1)16-10-17-14(12)19-6-4-18(5-7-19)11-8-15-9-11/h10-11,15H,1-9H2
InChIKeyHHCGVFFJKYKRAF-UHFFFAOYSA-N
MW259.36 g/mol
LogP0.06
Rot. Bonds2

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

4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 66203164) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID66203164
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1nc2c(c(N3CCN(C4CNC4)CC3)n1)CCC2
InChIInChI=1S/C14H21N5/c1-2-12-13(3-1)16-10-17-14(12)19-6-4-18(5-7-19)11-8-15-9-11/h10-11,15H,1-9H2
InChIKeyHHCGVFFJKYKRAF-UHFFFAOYSA-N
XLogP0.06
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498
4-(4-cyclopentyl-1,4-diazepan-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56906138
4-(4-chloropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63388917
4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155980197
4-(2-cyclopropyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 121185561
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864
1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-amine;dihydrochloride
CID 171689379
4-[4-(azetidin-3-yl)piperazin-1-yl]quinazoline
CID 66202594
7-(cyclohexylmethyl)-4-(4-cyclohexylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 143595596
2-[(6S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-6-yl]acetic acid
CID 95557826
4-[4-(bromomethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 80669482
4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80669009

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 66203164) is 4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1nc2c(c(N3CCN(C4CNC4)CC3)n1)CCC2.
What is the InChIKey of 4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is HHCGVFFJKYKRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-12-13(3-1)16-10-17-14(12)19-6-4-18(5-7-19)11-8-15-9-11/h10-11,15H,1-9H2.
What are the key properties of 4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 259.36 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 66203164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).