6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine

C12H14Cl2N6O — CID 138469118

IUPAC6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)ONc1nc(Cl)nc(Nc2ccnc(Cl)c2)n1
InChIInChI=1S/C12H14Cl2N6O/c1-12(2,3)21-20-11-18-9(14)17-10(19-11)16-7-4-5-15-8(13)6-7/h4-6H,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyWPFHJGBRYINADD-UHFFFAOYSA-N
MW329.19 g/mol
LogP3.46
Rot. Bonds4

About 6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine (PubChem CID 138469118) has the molecular formula C12H14Cl2N6O and a molecular weight of 329.19 g/mol. Its IUPAC name is 6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine
PubChem CID138469118
Molecular FormulaC12H14Cl2N6O
Molecular Weight329.19 g/mol
Exact Mass328.06
IUPAC Name6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)ONc1nc(Cl)nc(Nc2ccnc(Cl)c2)n1
InChIInChI=1S/C12H14Cl2N6O/c1-12(2,3)21-20-11-18-9(14)17-10(19-11)16-7-4-5-15-8(13)6-7/h4-6H,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyWPFHJGBRYINADD-UHFFFAOYSA-N
XLogP3.46
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-(1,2-benzothiazol-5-yl)-6-chloro-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine
CID 138469320
2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridin-4-amine
CID 175445807
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
2-chloro-N-(2,3,3-trimethylbutan-2-yl)pyridin-4-amine
CID 130643026
4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 20645289
6-chloro-2-N-(4-ethoxyphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768213
2-chloro-N-(3-methylpentan-3-yl)pyridin-4-amine
CID 106330915
4,6-dichloro-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
CID 122677423
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 753616
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
(1S)-1-deuterio-2,6,6-trifluoro-3-[4-[(2-methylpropan-2-yl)oxyamino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 159014984

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine (CID 138469118) is 6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine is CC(C)(C)ONc1nc(Cl)nc(Nc2ccnc(Cl)c2)n1.
What is the InChIKey of 6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine?
The InChIKey is WPFHJGBRYINADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N6O/c1-12(2,3)21-20-11-18-9(14)17-10(19-11)16-7-4-5-15-8(13)6-7/h4-6H,1-3H3,(H2,15,16,17,18,19,20).
What are the key properties of 6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine has a molecular weight of 329.19 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-chloro-4-pyridinyl)-2-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 138469118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).