4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol

C16H24N4O4 — CID 139764328

IUPAC4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol
SMILESOC1CC(Oc2nc(N3CCNCC3)nc3c2CCC3)C(O)C1O
InChIInChI=1S/C16H24N4O4/c21-11-8-12(14(23)13(11)22)24-15-9-2-1-3-10(9)18-16(19-15)20-6-4-17-5-7-20/h11-14,17,21-23H,1-8H2
InChIKeyRXDVTVQDMIYGLF-UHFFFAOYSA-N
MW336.39 g/mol
LogP-1.39
Rot. Bonds3

About 4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol

4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol (PubChem CID 139764328) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol.

Molecular Properties

Compound Name4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol
PubChem CID139764328
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol
SMILESOC1CC(Oc2nc(N3CCNCC3)nc3c2CCC3)C(O)C1O
InChIInChI=1S/C16H24N4O4/c21-11-8-12(14(23)13(11)22)24-15-9-2-1-3-10(9)18-16(19-15)20-6-4-17-5-7-20/h11-14,17,21-23H,1-8H2
InChIKeyRXDVTVQDMIYGLF-UHFFFAOYSA-N
XLogP-1.39
TPSA110.97 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol with MolForge

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Related Compounds

trans-(1S,2S)-2-[(2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]cyclopentan-1-ol
CID 139814294
2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 12602894
(2R,3R)-4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]butane-1,2,3-triol
CID 139764335
(2S,3S)-4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]butane-1,2,3-triol
CID 139764330
4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 70578273
(3S,4S)-4-(2-piperazin-1-ylquinazolin-4-yl)oxyoxolan-3-ol;hydrochloride
CID 67581998
2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525376
acetic acid;cis-(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentan-1-ol
CID 67754208
N-butyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 12602903
[(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate
CID 15409131
2-piperazin-1-yl-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 655485
11-methyl-2-piperazin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82270592

Frequently Asked Questions

What is the IUPAC name of 4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol?
The IUPAC name of 4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol (CID 139764328) is 4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol.
What is the SMILES notation for 4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol?
The canonical SMILES for 4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol is OC1CC(Oc2nc(N3CCNCC3)nc3c2CCC3)C(O)C1O.
What is the InChIKey of 4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol?
The InChIKey is RXDVTVQDMIYGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c21-11-8-12(14(23)13(11)22)24-15-9-2-1-3-10(9)18-16(19-15)20-6-4-17-5-7-20/h11-14,17,21-23H,1-8H2.
What are the key properties of 4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol?
4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol has a molecular weight of 336.39 g/mol, XLogP of -1.39, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]cyclopentane-1,2,3-triol is sourced from PubChem (CID 139764328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).