6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C8H14ClN5 — CID 138396210

IUPAC6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILES[2H]N(CC)c1nc(Cl)nc(N([2H])C(C)C)n1
InChIInChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)/i/hD2
InChIKeyMXWJVTOOROXGIU-ZSJDYOACSA-N
MW217.70 g/mol
LogP1.78
Rot. Bonds4

About 6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 138396210) has the molecular formula C8H14ClN5 and a molecular weight of 217.70 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID138396210
Molecular FormulaC8H14ClN5
Molecular Weight217.70 g/mol
Exact Mass217.11
IUPAC Name6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILES[2H]N(CC)c1nc(Cl)nc(N([2H])C(C)C)n1
InChIInChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)/i/hD2
InChIKeyMXWJVTOOROXGIU-ZSJDYOACSA-N
XLogP1.78
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

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
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 154289566
6-chloro-4-N-ethyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine
CID 107818968
6-chloro-4-N-ethyl-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819261
6-chloro-4-N-(2-methylpropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 12539649
6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822093
6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107818966
2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanethiol
CID 21434513
2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 10708587

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 138396210) is 6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is [2H]N(CC)c1nc(Cl)nc(N([2H])C(C)C)n1.
What is the InChIKey of 6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is MXWJVTOOROXGIU-ZSJDYOACSA-N. The full InChI is InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)/i/hD2.
What are the key properties of 6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 217.70 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-dideuterio-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 138396210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).