6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine

C14H13ClF2N8 — CID 154156607

IUPAC6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(c1ncc(F)cc1F)N(c1cn(C)cn1)c1nc(N)nc(Cl)n1
InChIInChI=1S/C14H13ClF2N8/c1-7(11-9(17)3-8(16)4-19-11)25(10-5-24(2)6-20-10)14-22-12(15)21-13(18)23-14/h3-7H,1-2H3,(H2,18,21,22,23)
InChIKeyIMBKQXUDXJBYMK-UHFFFAOYSA-N
MW366.76 g/mol
LogP2.41
Rot. Bonds4

About 6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 154156607) has the molecular formula C14H13ClF2N8 and a molecular weight of 366.76 g/mol. Its IUPAC name is 6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID154156607
Molecular FormulaC14H13ClF2N8
Molecular Weight366.76 g/mol
Exact Mass366.09
IUPAC Name6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(c1ncc(F)cc1F)N(c1cn(C)cn1)c1nc(N)nc(Cl)n1
InChIInChI=1S/C14H13ClF2N8/c1-7(11-9(17)3-8(16)4-19-11)25(10-5-24(2)6-20-10)14-22-12(15)21-13(18)23-14/h3-7H,1-2H3,(H2,18,21,22,23)
InChIKeyIMBKQXUDXJBYMK-UHFFFAOYSA-N
XLogP2.41
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine (CID 154156607) is 6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine is CC(c1ncc(F)cc1F)N(c1cn(C)cn1)c1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IMBKQXUDXJBYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N8/c1-7(11-9(17)3-8(16)4-19-11)25(10-5-24(2)6-20-10)14-22-12(15)21-13(18)23-14/h3-7H,1-2H3,(H2,18,21,22,23).
What are the key properties of 6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 366.76 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-2-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 154156607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).