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

C9H11ClN6O — CID 114181130

IUPAC6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(CNc2nc(N)nc(Cl)n2)oc1C
InChIInChI=1S/C9H11ClN6O/c1-4-5(2)17-6(13-4)3-12-9-15-7(10)14-8(11)16-9/h3H2,1-2H3,(H3,11,12,14,15,16)
InChIKeyAVKGBLAUUZUOPZ-UHFFFAOYSA-N
MW254.68 g/mol
LogP1.32
Rot. Bonds3

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

6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 114181130) has the molecular formula C9H11ClN6O and a molecular weight of 254.68 g/mol. Its IUPAC name is 6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID114181130
Molecular FormulaC9H11ClN6O
Molecular Weight254.68 g/mol
Exact Mass254.07
IUPAC Name6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(CNc2nc(N)nc(Cl)n2)oc1C
InChIInChI=1S/C9H11ClN6O/c1-4-5(2)17-6(13-4)3-12-9-15-7(10)14-8(11)16-9/h3H2,1-2H3,(H3,11,12,14,15,16)
InChIKeyAVKGBLAUUZUOPZ-UHFFFAOYSA-N
XLogP1.32
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106375611
2-chloro-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine
CID 106369962
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 106378786
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 106374123
3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine
CID 106374028
6-chloro-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 118444193
6-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrazin-2-amine
CID 107268510
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbenzene-1,2-diamine
CID 106369950
6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 80770653
4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 79237881
5,7-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 65476221

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 114181130) is 6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine is Cc1nc(CNc2nc(N)nc(Cl)n2)oc1C.
What is the InChIKey of 6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is AVKGBLAUUZUOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6O/c1-4-5(2)17-6(13-4)3-12-9-15-7(10)14-8(11)16-9/h3H2,1-2H3,(H3,11,12,14,15,16).
What are the key properties of 6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 254.68 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114181130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).