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

C6H8Cl2N4 — CID 19453

IUPAC4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H8Cl2N4/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H,9,10,11,12)
InChIKeyJDAPQMINSZDTBM-UHFFFAOYSA-N
MW207.06 g/mol
LogP2.00
Rot. Bonds2

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

4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 19453) has the molecular formula C6H8Cl2N4 and a molecular weight of 207.06 g/mol. Its IUPAC name is 4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID19453
Molecular FormulaC6H8Cl2N4
Molecular Weight207.06 g/mol
Exact Mass206.01
IUPAC Name4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H8Cl2N4/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H,9,10,11,12)
InChIKeyJDAPQMINSZDTBM-UHFFFAOYSA-N
XLogP2.00
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cyromazine
CID 47866
Cyanazine
CID 30773
Simazine
CID 5216
Terbuthylazine
CID 22206
Atrazine
CID 2256
Propazine
CID 4937
Deisopropylatrazine
CID 13878
Deethylatrazine
CID 22563
Cyprazine
CID 24738
Sebuthylazine
CID 23712
Trietazine
CID 15951
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-methyl-N4-(1-methylethyl)-
CID 18153

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine (CID 19453) is 4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine is CC(C)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is JDAPQMINSZDTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2N4/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H,9,10,11,12).
What are the key properties of 4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine?
4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 207.06 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 19453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).