5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine

C23H27N7O — CID 58073653

IUPAC5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(N2CCN(Cc3nc(C)c(C)o3)CC2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C23H27N7O/c1-4-20-19(7-5-18-6-8-21(24)25-13-18)23(27-15-26-20)30-11-9-29(10-12-30)14-22-28-16(2)17(3)31-22/h6,8,13,15H,4,9-12,14H2,1-3H3,(H2,24,25)
InChIKeyOTQGKNLNXCOEIN-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.34
Rot. Bonds4

About 5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine

5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine (PubChem CID 58073653) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine
PubChem CID58073653
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(N2CCN(Cc3nc(C)c(C)o3)CC2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C23H27N7O/c1-4-20-19(7-5-18-6-8-21(24)25-13-18)23(27-15-26-20)30-11-9-29(10-12-30)14-22-28-16(2)17(3)31-22/h6,8,13,15H,4,9-12,14H2,1-3H3,(H2,24,25)
InChIKeyOTQGKNLNXCOEIN-UHFFFAOYSA-N
XLogP2.34
TPSA97.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine 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-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2,6-difluorophenyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 58072775
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 58072867
N-[(4-phenyl-2-propyl-1,3-oxazol-5-yl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
CID 49798205
2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyridine-3-carbonitrile
CID 49782365
1-[[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-pyridin-2-ylurea
CID 53597342
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 71984488
2-Ethyl-5-[4-[6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 60173978
N-[[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methyl]-5-methylpyridin-2-amine
CID 97847658
[4-[5-(6-Amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 68049474
2-(3,3-difluoroazetidin-1-yl)-6-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
CID 117685264
2-(3,3-difluoroazetidin-1-yl)-6-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
CID 117685265
N-[6-[[4-(4-aminopyrimidin-2-yl)piperazin-1-yl]methyl]pyridin-3-yl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 122549701

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine (CID 58073653) is 5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine is CCc1ncnc(N2CCN(Cc3nc(C)c(C)o3)CC2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The InChIKey is OTQGKNLNXCOEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-4-20-19(7-5-18-6-8-21(24)25-13-18)23(27-15-26-20)30-11-9-29(10-12-30)14-22-28-16(2)17(3)31-22/h6,8,13,15H,4,9-12,14H2,1-3H3,(H2,24,25).
What are the key properties of 5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine has a molecular weight of 417.52 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58073653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).