4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine

C9H12Cl2N4 — CID 63956099

IUPAC4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine
SMILESCCN(CC1CC1)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H12Cl2N4/c1-2-15(5-6-3-4-6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3
InChIKeyFHMYOJLQDXOQFW-UHFFFAOYSA-N
MW247.13 g/mol
LogP2.41
Rot. Bonds4

About 4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine

4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 63956099) has the molecular formula C9H12Cl2N4 and a molecular weight of 247.13 g/mol. Its IUPAC name is 4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine
PubChem CID63956099
Molecular FormulaC9H12Cl2N4
Molecular Weight247.13 g/mol
Exact Mass246.04
IUPAC Name4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine
SMILESCCN(CC1CC1)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H12Cl2N4/c1-2-15(5-6-3-4-6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3
InChIKeyFHMYOJLQDXOQFW-UHFFFAOYSA-N
XLogP2.41
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-N-(cyclopropylmethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80839478
4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 63956305
6-chloro-2-N-(cyclobutylmethyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107400373
6-chloro-4-N-(cyclobutylmethyl)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 55125565
6-chloro-2-N,2-N-bis(cyclopropylmethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80834947
2-N-(cyclopropylmethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80839965
6-chloro-2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80799483
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
6-chloro-4-N-(1-cyclopropylpropan-2-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 63996756
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 63275034
4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine
CID 79720046
6-chloro-2-N,2-N-diethyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 62870396

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine (CID 63956099) is 4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine is CCN(CC1CC1)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is FHMYOJLQDXOQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4/c1-2-15(5-6-3-4-6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3.
What are the key properties of 4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine?
4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 247.13 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(cyclopropylmethyl)-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63956099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).