4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide

C18H29N5O2 — CID 121495825

IUPAC4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide
SMILESCc1ncnc(N2CCN(C(=O)NCCC3CCCCO3)CC2)c1C
InChIInChI=1S/C18H29N5O2/c1-14-15(2)20-13-21-17(14)22-8-10-23(11-9-22)18(24)19-7-6-16-5-3-4-12-25-16/h13,16H,3-12H2,1-2H3,(H,19,24)
InChIKeyOXKLGRSBYLPKJQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.88
Rot. Bonds4

About 4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide

4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 121495825) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID121495825
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide
SMILESCc1ncnc(N2CCN(C(=O)NCCC3CCCCO3)CC2)c1C
InChIInChI=1S/C18H29N5O2/c1-14-15(2)20-13-21-17(14)22-8-10-23(11-9-22)18(24)19-7-6-16-5-3-4-12-25-16/h13,16H,3-12H2,1-2H3,(H,19,24)
InChIKeyOXKLGRSBYLPKJQ-UHFFFAOYSA-N
XLogP1.88
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide 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

4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide
CID 126430553
N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99708470
N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide
CID 126896023
N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99715154
N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide
CID 95612335
4-[(3-methoxyphenyl)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]piperazine-1-carboxamide
CID 126448550
4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide
CID 121498779
(2R)-2-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 95637959
N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92757124
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(oxolan-2-yl)ethyl]azepane-1-carboxamide
CID 75475872
N-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 95860515
3-(3-tert-butylimidazol-4-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 138010718

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide (CID 121495825) is 4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide is Cc1ncnc(N2CCN(C(=O)NCCC3CCCCO3)CC2)c1C.
What is the InChIKey of 4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is OXKLGRSBYLPKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14-15(2)20-13-21-17(14)22-8-10-23(11-9-22)18(24)19-7-6-16-5-3-4-12-25-16/h13,16H,3-12H2,1-2H3,(H,19,24).
What are the key properties of 4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide?
4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylpyrimidin-4-yl)-N-[2-(oxan-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 121495825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).