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

C12H17ClN6O — CID 62863803

IUPAC6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCc2cc(C)on2)n1
InChIInChI=1S/C12H17ClN6O/c1-4-19(5-2)12-16-10(13)15-11(17-12)14-7-9-6-8(3)20-18-9/h6H,4-5,7H2,1-3H3,(H,14,15,16,17)
InChIKeyOTVBDHRMNQNUKN-UHFFFAOYSA-N
MW296.76 g/mol
LogP2.28
Rot. Bonds6

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

6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 62863803) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID62863803
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NCc2cc(C)on2)n1
InChIInChI=1S/C12H17ClN6O/c1-4-19(5-2)12-16-10(13)15-11(17-12)14-7-9-6-8(3)20-18-9/h6H,4-5,7H2,1-3H3,(H,14,15,16,17)
InChIKeyOTVBDHRMNQNUKN-UHFFFAOYSA-N
XLogP2.28
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80812986
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-4-N-[[3-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 11540669
6-chloro-2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 62863713
6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106193353
6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 27378828
2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol
CID 106196572
6-chloro-2-N,2-N-diethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 106194753
6-chloro-2-N,2-N-diethyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 83019714
6-chloro-2-N,2-N-diethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 114701549
6-chloro-2-N,2-N-diethyl-4-N-(2H-tetrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106194548
6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106194409

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 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) is 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NCc2cc(C)on2)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OTVBDHRMNQNUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O/c1-4-19(5-2)12-16-10(13)15-11(17-12)14-7-9-6-8(3)20-18-9/h6H,4-5,7H2,1-3H3,(H,14,15,16,17).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 296.76 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62863803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).