4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol

C14H22N4O2 — CID 56750759

IUPAC4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol
SMILESCNc1nc(N2CCC(O)(CO)CC2)nc2c1CCC2
InChIInChI=1S/C14H22N4O2/c1-15-12-10-3-2-4-11(10)16-13(17-12)18-7-5-14(20,9-19)6-8-18/h19-20H,2-9H2,1H3,(H,15,16,17)
InChIKeyMDGGEWXJKRCDRJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.33
Rot. Bonds3

About 4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol

4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol (PubChem CID 56750759) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol
PubChem CID56750759
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol
SMILESCNc1nc(N2CCC(O)(CO)CC2)nc2c1CCC2
InChIInChI=1S/C14H22N4O2/c1-15-12-10-3-2-4-11(10)16-13(17-12)18-7-5-14(20,9-19)6-8-18/h19-20H,2-9H2,1H3,(H,15,16,17)
InChIKeyMDGGEWXJKRCDRJ-UHFFFAOYSA-N
XLogP0.33
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol
CID 95873941
(5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97140262
[5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91777859
N-ethyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191304
N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351687
4-(hydroxymethyl)-9-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135104663
N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70764655
2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 56754443
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
4-[4-(ethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-1-carbaldehyde
CID 13073795
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-3-ol
CID 50952268
N-methyl-2-pentan-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62313616

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol (CID 56750759) is 4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol is CNc1nc(N2CCC(O)(CO)CC2)nc2c1CCC2.
What is the InChIKey of 4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is MDGGEWXJKRCDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-15-12-10-3-2-4-11(10)16-13(17-12)18-7-5-14(20,9-19)6-8-18/h19-20H,2-9H2,1H3,(H,15,16,17).
What are the key properties of 4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol?
4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 278.36 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 56750759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).