5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one

C20H25N5O3 — CID 133121935

IUPAC5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(c1cnc(-c2ccccn2)[nH]c1=O)N1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C20H25N5O3/c26-17-7-2-1-6-16(17)24-9-11-25(12-10-24)20(28)14-13-22-18(23-19(14)27)15-5-3-4-8-21-15/h3-5,8,13,16-17,26H,1-2,6-7,9-12H2,(H,22,23,27)/t16-,17-/m1/s1
InChIKeyMQIIGGGZMWJRHG-IAGOWNOFSA-N
MW383.45 g/mol
LogP0.89
Rot. Bonds3

About 5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one

5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 133121935) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID133121935
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(c1cnc(-c2ccccn2)[nH]c1=O)N1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C20H25N5O3/c26-17-7-2-1-6-16(17)24-9-11-25(12-10-24)20(28)14-13-22-18(23-19(14)27)15-5-3-4-8-21-15/h3-5,8,13,16-17,26H,1-2,6-7,9-12H2,(H,22,23,27)/t16-,17-/m1/s1
InChIKeyMQIIGGGZMWJRHG-IAGOWNOFSA-N
XLogP0.89
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 97155188
5-[(2S)-2-(4-fluorophenyl)azetidine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 97132026
2-phenyl-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 92648674
5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
CID 92648681
[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 97018374
4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95759127
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 94824320
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one
CID 47780747
2-(4-pyridin-2-ylpiperidin-1-yl)cyclohexan-1-ol
CID 110090198
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 95758800
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95759735
5-(4-benzylpiperazine-1-carbonyl)-2-phenyl-1H-pyrimidin-6-one
CID 92648682

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 133121935) is 5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one is O=C(c1cnc(-c2ccccn2)[nH]c1=O)N1CCN([C@@H]2CCCC[C@H]2O)CC1.
What is the InChIKey of 5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is MQIIGGGZMWJRHG-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-17-7-2-1-6-16(17)24-9-11-25(12-10-24)20(28)14-13-22-18(23-19(14)27)15-5-3-4-8-21-15/h3-5,8,13,16-17,26H,1-2,6-7,9-12H2,(H,22,23,27)/t16-,17-/m1/s1.
What are the key properties of 5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 383.45 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 133121935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).