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

C12H16BrN5O — CID 106378774

IUPAC5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2nc(C)c(C)o2)c1Br
InChIInChI=1S/C12H16BrN5O/c1-4-14-11-10(13)12(17-6-16-11)15-5-9-18-7(2)8(3)19-9/h6H,4-5H2,1-3H3,(H2,14,15,16,17)
InChIKeyAOGNILPWFCIXKV-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.89
Rot. Bonds5

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

5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 106378774) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine
PubChem CID106378774
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2nc(C)c(C)o2)c1Br
InChIInChI=1S/C12H16BrN5O/c1-4-14-11-10(13)12(17-6-16-11)15-5-9-18-7(2)8(3)19-9/h6H,4-5H2,1-3H3,(H2,14,15,16,17)
InChIKeyAOGNILPWFCIXKV-UHFFFAOYSA-N
XLogP2.89
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 106378791
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 106378873
3,5-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106374390
5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 114072292
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 106378764
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinazoline-4,6-diamine
CID 106369899
4-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 60972696
2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline
CID 54882260
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 106378786
4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one
CID 106374052
2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine
CID 106369962
3,5-dichloro-6-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106378906

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine (CID 106378774) is 5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine is CCNc1ncnc(NCc2nc(C)c(C)o2)c1Br.
What is the InChIKey of 5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is AOGNILPWFCIXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-4-14-11-10(13)12(17-6-16-11)15-5-9-18-7(2)8(3)19-9/h6H,4-5H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine?
5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 326.20 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 106378774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).