4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine

C13H19ClN6 — CID 62865000

IUPAC4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)CN(c1nc(Cl)nc(-n2ccnc2)n1)C(C)C
InChIInChI=1S/C13H19ClN6/c1-9(2)7-20(10(3)4)13-17-11(14)16-12(18-13)19-6-5-15-8-19/h5-6,8-10H,7H2,1-4H3
InChIKeyXFXUHCIDXFRAQW-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.58
Rot. Bonds5

About 4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 62865000) has the molecular formula C13H19ClN6 and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID62865000
Molecular FormulaC13H19ClN6
Molecular Weight294.79 g/mol
Exact Mass294.14
IUPAC Name4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)CN(c1nc(Cl)nc(-n2ccnc2)n1)C(C)C
InChIInChI=1S/C13H19ClN6/c1-9(2)7-20(10(3)4)13-17-11(14)16-12(18-13)19-6-5-15-8-19/h5-6,8-10H,7H2,1-4H3
InChIKeyXFXUHCIDXFRAQW-UHFFFAOYSA-N
XLogP2.58
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80820982
4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine
CID 81062236
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-ethylamino]ethanol
CID 62862670
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 80810035
4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 62865097
4-chloro-6-imidazol-1-yl-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 62864215
5-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]pentan-1-ol
CID 107201782
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951004
4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine
CID 62862931
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine (CID 62865000) is 4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine is CC(C)CN(c1nc(Cl)nc(-n2ccnc2)n1)C(C)C.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is XFXUHCIDXFRAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6/c1-9(2)7-20(10(3)4)13-17-11(14)16-12(18-13)19-6-5-15-8-19/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 294.79 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62865000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).