4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine

C7H11ClN4 — CID 110190836

IUPAC4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C7H11ClN4/c1-4(2)9-7-11-5(3)10-6(8)12-7/h4H,1-3H3,(H,9,10,11,12)
InChIKeyWTJLEHFWXMUASQ-UHFFFAOYSA-N
MW186.65 g/mol
LogP1.65
Rot. Bonds2

About 4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine

4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 110190836) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID110190836
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C7H11ClN4/c1-4(2)9-7-11-5(3)10-6(8)12-7/h4H,1-3H3,(H,9,10,11,12)
InChIKeyWTJLEHFWXMUASQ-UHFFFAOYSA-N
XLogP1.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine
CID 56988208
6-chloro-4-N-(2-methylpropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 12539649
2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanethiol
CID 21434513
1,1-dichloro-3-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-one
CID 20531559
4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine
CID 53385565
4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895
6-chloro-2-N-ethoxy-2-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 163715175
3-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutanenitrile
CID 117059335
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
2-[[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]butanenitrile
CID 117059331
bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane
CID 159104924
6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine
CID 57482779

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine (CID 110190836) is 4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine is Cc1nc(Cl)nc(NC(C)C)n1.
What is the InChIKey of 4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is WTJLEHFWXMUASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4/c1-4(2)9-7-11-5(3)10-6(8)12-7/h4H,1-3H3,(H,9,10,11,12).
What are the key properties of 4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine?
4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 186.65 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 110190836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).