5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

C13H20N4O — CID 76792501

IUPAC5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
SMILESCC1CC(O)c2ncnc(N3CCN(C)CC3)c21
InChIInChI=1S/C13H20N4O/c1-9-7-10(18)12-11(9)13(15-8-14-12)17-5-3-16(2)4-6-17/h8-10,18H,3-7H2,1-2H3
InChIKeyKKBWLGBKCNIMMH-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.77
Rot. Bonds1

About 5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol (PubChem CID 76792501) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol.

Molecular Properties

Compound Name5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
PubChem CID76792501
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
SMILESCC1CC(O)c2ncnc(N3CCN(C)CC3)c21
InChIInChI=1S/C13H20N4O/c1-9-7-10(18)12-11(9)13(15-8-14-12)17-5-3-16(2)4-6-17/h8-10,18H,3-7H2,1-2H3
InChIKeyKKBWLGBKCNIMMH-UHFFFAOYSA-N
XLogP0.77
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol with MolForge

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Related Compounds

(7R)-4-(4-tert-butylpiperazin-1-yl)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
CID 68735699
[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-methylborinic acid
CID 123308397
1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone
CID 58465363
1-[4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 172733744
(5R)-5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 58458309
(5R,7R)-5-methyl-4-(2-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
CID 66617782
3-amino-2-(4-bromophenyl)-3-[4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propanal
CID 87406199
(2S)-3-amino-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 59671144
(5R,7R)-4-[4-[2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropyl]piperazin-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
CID 151332956
3-amino-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 66618292
2-amino-3-(3,4-dichlorophenyl)-1-[4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 66618146
2-amino-3-(3,4-dichlorophenyl)-1-[4-[(5S,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122462087

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
The IUPAC name of 5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol (CID 76792501) is 5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol.
What is the SMILES notation for 5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
The canonical SMILES for 5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol is CC1CC(O)c2ncnc(N3CCN(C)CC3)c21.
What is the InChIKey of 5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
The InChIKey is KKBWLGBKCNIMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-7-10(18)12-11(9)13(15-8-14-12)17-5-3-16(2)4-6-17/h8-10,18H,3-7H2,1-2H3.
What are the key properties of 5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol?
5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol has a molecular weight of 248.33 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol is sourced from PubChem (CID 76792501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).