6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C11H13ClN6 — CID 141370170

IUPAC6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N)nc(-c2cccc(Cl)n2)n1
InChIInChI=1S/C11H13ClN6/c1-6(2)14-11-17-9(16-10(13)18-11)7-4-3-5-8(12)15-7/h3-6H,1-2H3,(H3,13,14,16,17,18)
InChIKeySEFAMNYFRLQULI-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.99
Rot. Bonds3

About 6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 141370170) has the molecular formula C11H13ClN6 and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID141370170
Molecular FormulaC11H13ClN6
Molecular Weight264.72 g/mol
Exact Mass264.09
IUPAC Name6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N)nc(-c2cccc(Cl)n2)n1
InChIInChI=1S/C11H13ClN6/c1-6(2)14-11-17-9(16-10(13)18-11)7-4-3-5-8(12)15-7/h3-6H,1-2H3,(H3,13,14,16,17,18)
InChIKeySEFAMNYFRLQULI-UHFFFAOYSA-N
XLogP1.99
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 123884185
2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 27784
2-chloro-6-(6-chloro-2-pyridinyl)pyridine
CID 10987918
6-chloro-2-(6-chloro-2-pyridinyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 122440774
6-(6-chloro-2-pyridinyl)-4-N-(4,4-difluorocyclohexyl)-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 122440806
6-(6-chloro-2-pyridinyl)-2-N-(2-methylbutan-2-yl)-4-N-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 138580111
6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 160677400
6-(6-chloro-5-deuterio-2-pyridinyl)-2-N-(1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 146458412
6-(6-chloro-3-deuterio-2-pyridinyl)-4-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 151563612
4-N-[2-(4-chlorophenyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 146258670
6-(6-chloro-5-deuterio-2-pyridinyl)-4-N-[(2R)-2-deuterio-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 151563644
6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781008

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 141370170) is 6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(N)nc(-c2cccc(Cl)n2)n1.
What is the InChIKey of 6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is SEFAMNYFRLQULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6/c1-6(2)14-11-17-9(16-10(13)18-11)7-4-3-5-8(12)15-7/h3-6H,1-2H3,(H3,13,14,16,17,18).
What are the key properties of 6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 264.72 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 141370170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).