6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one

C16H26N4O2 — CID 167160586

IUPAC6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESCN1CCC(O)(Cn2cnc(NC3CCCC3)cc2=O)CC1
InChIInChI=1S/C16H26N4O2/c1-19-8-6-16(22,7-9-19)11-20-12-17-14(10-15(20)21)18-13-4-2-3-5-13/h10,12-13,18,22H,2-9,11H2,1H3
InChIKeyJIEDKMXLLAUGQT-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.05
Rot. Bonds4

About 6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one

6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one (PubChem CID 167160586) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one
PubChem CID167160586
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESCN1CCC(O)(Cn2cnc(NC3CCCC3)cc2=O)CC1
InChIInChI=1S/C16H26N4O2/c1-19-8-6-16(22,7-9-19)11-20-12-17-14(10-15(20)21)18-13-4-2-3-5-13/h10,12-13,18,22H,2-9,11H2,1H3
InChIKeyJIEDKMXLLAUGQT-UHFFFAOYSA-N
XLogP1.05
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one (CID 167160586) is 6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one is CN1CCC(O)(Cn2cnc(NC3CCCC3)cc2=O)CC1.
What is the InChIKey of 6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one?
The InChIKey is JIEDKMXLLAUGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19-8-6-16(22,7-9-19)11-20-12-17-14(10-15(20)21)18-13-4-2-3-5-13/h10,12-13,18,22H,2-9,11H2,1H3.
What are the key properties of 6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one?
6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one has a molecular weight of 306.41 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 167160586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).