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

C10H13ClN6O — CID 80812986

IUPAC6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCc2cc(C)on2)n1
InChIInChI=1S/C10H13ClN6O/c1-3-12-9-14-8(11)15-10(16-9)13-5-7-4-6(2)18-17-7/h4H,3,5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyLCSOQPOMVQKPKR-UHFFFAOYSA-N
MW268.71 g/mol
LogP1.87
Rot. Bonds5

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

6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80812986) has the molecular formula C10H13ClN6O and a molecular weight of 268.71 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID80812986
Molecular FormulaC10H13ClN6O
Molecular Weight268.71 g/mol
Exact Mass268.08
IUPAC Name6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCc2cc(C)on2)n1
InChIInChI=1S/C10H13ClN6O/c1-3-12-9-14-8(11)15-10(16-9)13-5-7-4-6(2)18-17-7/h4H,3,5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyLCSOQPOMVQKPKR-UHFFFAOYSA-N
XLogP1.87
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 62863803
4-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62863628
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
2-N-ethyl-6-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326759
6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine
CID 104924020
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80958301
2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257719
6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80813575
5-iodo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine
CID 104841408

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 80812986) is 6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NCc2cc(C)on2)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is LCSOQPOMVQKPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O/c1-3-12-9-14-8(11)15-10(16-9)13-5-7-4-6(2)18-17-7/h4H,3,5H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 268.71 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80812986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).