4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine

C12H18N6O — CID 106378786

IUPAC4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCc2nc(C)c(C)o2)nc(N)n1
InChIInChI=1S/C12H18N6O/c1-4-14-9-5-10(18-12(13)17-9)15-6-11-16-7(2)8(3)19-11/h5H,4,6H2,1-3H3,(H4,13,14,15,17,18)
InChIKeyJZOFQTKKNHNUJL-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.71
Rot. Bonds5

About 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine

4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 106378786) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID106378786
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCc2nc(C)c(C)o2)nc(N)n1
InChIInChI=1S/C12H18N6O/c1-4-14-9-5-10(18-12(13)17-9)15-6-11-16-7(2)8(3)19-11/h5H,4,6H2,1-3H3,(H4,13,14,15,17,18)
InChIKeyJZOFQTKKNHNUJL-UHFFFAOYSA-N
XLogP1.71
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine 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

6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine
CID 80813441
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 106378764
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine
CID 106379040
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 106378823
6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine
CID 80813528
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 114181130
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyridin-2-amine
CID 106374176
6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine
CID 80772345
5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxamide
CID 106376450
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine
CID 106379059
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 106378791

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine (CID 106378786) is 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(NCc2nc(C)c(C)o2)nc(N)n1.
What is the InChIKey of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is JZOFQTKKNHNUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-14-9-5-10(18-12(13)17-9)15-6-11-16-7(2)8(3)19-11/h5H,4,6H2,1-3H3,(H4,13,14,15,17,18).
What are the key properties of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 262.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 106378786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).