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

C8H13ClN4 — CID 3044737

IUPAC4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C8H13ClN4/c1-4-6-11-7(9)13-8(12-6)10-5(2)3/h5H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyXHGCHTACKWCQGD-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.91
Rot. Bonds3

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

4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 3044737) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID3044737
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C8H13ClN4/c1-4-6-11-7(9)13-8(12-6)10-5(2)3/h5H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyXHGCHTACKWCQGD-UHFFFAOYSA-N
XLogP1.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

Sebuthylazine
CID 23712
N~2~,N~4~-Diethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 16086
4,6-Bis-isopropylamino-[1,3,5]triazine-2-carbonitrile
CID 644401
N-Propyl-4-methyl-6-(trichloromethyl)-s-triazine-2-amine
CID 32661
N,4-Diethyl-6-methoxy-1,3,5-triazin-2-amine
CID 21313
s-Triazine, 4,6-bis(isopropylamino)-2-ethyl-
CID 33405
1,3,5-Triazin-2-amine, 4-ethyl-6-methoxy-N-(1-methylethyl)-
CID 199904
1,3,5-Triazin-2-amine, 4-chloro-N-ethyl-6-propyl-
CID 3044738
4-chloro-N-cyclopropyl-6-methyl-1,3,5-triazin-2-amine
CID 18965208
4-chloro-6-(ethylideneamino)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 101004677
N-butyl-4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 32686
6-Chloro-N,N'-(1-methylpropyl)-[1,3,5]triazine-2,4-diamine
CID 3089147

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine (CID 3044737) is 4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine is CCc1nc(Cl)nc(NC(C)C)n1.
What is the InChIKey of 4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is XHGCHTACKWCQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c1-4-6-11-7(9)13-8(12-6)10-5(2)3/h5H,4H2,1-3H3,(H,10,11,12,13).
What are the key properties of 4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine?
4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 200.67 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3044737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).