6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine

C9H16ClN5 — CID 62869363

IUPAC6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CNc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C9H16ClN5/c1-6(2)5-11-8-12-7(10)13-9(14-8)15(3)4/h6H,5H2,1-4H3,(H,11,12,13,14)
InChIKeyRLHIMFHQBSLELD-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.66
Rot. Bonds4

About 6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62869363) has the molecular formula C9H16ClN5 and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID62869363
Molecular FormulaC9H16ClN5
Molecular Weight229.71 g/mol
Exact Mass229.11
IUPAC Name6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CNc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C9H16ClN5/c1-6(2)5-11-8-12-7(10)13-9(14-8)15(3)4/h6H,5H2,1-4H3,(H,11,12,13,14)
InChIKeyRLHIMFHQBSLELD-UHFFFAOYSA-N
XLogP1.66
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106197149
6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine
CID 104592104
6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 62862949
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
6-chloro-4-N-(2-methylpropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 12539649
6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3132066
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 62865255
6-chloro-2-N,2-N-dimethyl-4-N-(3-phenylbutyl)-1,3,5-triazine-2,4-diamine
CID 62988752
4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106195710
6-chloro-2-N,2-N-dimethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 79557079
6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865096
6-chloro-4-N-ethyl-2-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796350

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine (CID 62869363) is 6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine is CC(C)CNc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RLHIMFHQBSLELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5/c1-6(2)5-11-8-12-7(10)13-9(14-8)15(3)4/h6H,5H2,1-4H3,(H,11,12,13,14).
What are the key properties of 6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 229.71 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62869363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).