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

C7H12ClN5 — CID 80764732

IUPAC6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)N(C)c1nc(N)nc(Cl)n1
InChIInChI=1S/C7H12ClN5/c1-4(2)13(3)7-11-5(8)10-6(9)12-7/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyHXEXNKPMSZUTHI-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.95
Rot. Bonds2

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

6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80764732) has the molecular formula C7H12ClN5 and a molecular weight of 201.66 g/mol. Its IUPAC name is 6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID80764732
Molecular FormulaC7H12ClN5
Molecular Weight201.66 g/mol
Exact Mass201.08
IUPAC Name6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)N(C)c1nc(N)nc(Cl)n1
InChIInChI=1S/C7H12ClN5/c1-4(2)13(3)7-11-5(8)10-6(9)12-7/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyHXEXNKPMSZUTHI-UHFFFAOYSA-N
XLogP0.95
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 80764732) is 6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)N(C)c1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is HXEXNKPMSZUTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN5/c1-4(2)13(3)7-11-5(8)10-6(9)12-7/h4H,1-3H3,(H2,9,10,11,12).
What are the key properties of 6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 201.66 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80764732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).