6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine

C18H17Cl3N6 — CID 168928871

IUPAC6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine
SMILESCNc1cc(-c2nccc(-c3cc(NCC(Cl)(Cl)Cl)cnc3C)n2)ccn1
InChIInChI=1S/C18H17Cl3N6/c1-11-14(8-13(9-25-11)26-10-18(19,20)21)15-4-6-24-17(27-15)12-3-5-23-16(7-12)22-2/h3-9,26H,10H2,1-2H3,(H,22,23)
InChIKeyPLFOPDATHMMEAT-UHFFFAOYSA-N
MW423.74 g/mol
LogP4.73
Rot. Bonds5

About 6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine

6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine (PubChem CID 168928871) has the molecular formula C18H17Cl3N6 and a molecular weight of 423.74 g/mol. Its IUPAC name is 6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine
PubChem CID168928871
Molecular FormulaC18H17Cl3N6
Molecular Weight423.74 g/mol
Exact Mass422.06
IUPAC Name6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine
SMILESCNc1cc(-c2nccc(-c3cc(NCC(Cl)(Cl)Cl)cnc3C)n2)ccn1
InChIInChI=1S/C18H17Cl3N6/c1-11-14(8-13(9-25-11)26-10-18(19,20)21)15-4-6-24-17(27-15)12-3-5-23-16(7-12)22-2/h3-9,26H,10H2,1-2H3,(H,22,23)
InChIKeyPLFOPDATHMMEAT-UHFFFAOYSA-N
XLogP4.73
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.74
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trichloroethyl N-[6-methyl-5-[4-[2-(methylamino)-4-pyridinyl]pyrimidin-2-yl]-3-pyridinyl]carbamate
CID 168928631
2,2,2-trichloroethyl N-[3-[2-[2-(methoxycarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]carbamate
CID 168928456
cyclopropanecarbaldehyde;N-(3,3-dimethylbutyl)-6-methyl-5-[5-[2-(methylamino)-4-pyridinyl]pyridazin-3-yl]pyridin-3-amine;formamide
CID 168928946
N-methyl-4-(2-methyl-4-pyridinyl)pyridin-2-amine
CID 130377079
2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]ethanol
CID 168928493
N-[3-[2-(2-acetamido-4-pyridinyl)pyrimidin-4-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 176572506
2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 62190613
N-[4-[2-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]-2-pyridinyl]acetamide;2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 168930442
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 168930367
N-methyl-4-pyridin-3-ylpyridin-2-amine
CID 56965171
4-isoquinolin-7-yl-N-methylpyridin-2-amine
CID 166371532
methyl N-[4-[4-[5-(3,3-dimethylbutylcarbamoylamino)-2-methyl-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate
CID 168929128

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine?
The IUPAC name of 6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine (CID 168928871) is 6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine.
What is the SMILES notation for 6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine?
The canonical SMILES for 6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine is CNc1cc(-c2nccc(-c3cc(NCC(Cl)(Cl)Cl)cnc3C)n2)ccn1.
What is the InChIKey of 6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine?
The InChIKey is PLFOPDATHMMEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N6/c1-11-14(8-13(9-25-11)26-10-18(19,20)21)15-4-6-24-17(27-15)12-3-5-23-16(7-12)22-2/h3-9,26H,10H2,1-2H3,(H,22,23).
What are the key properties of 6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine?
6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine has a molecular weight of 423.74 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrimidin-4-yl]-N-(2,2,2-trichloroethyl)pyridin-3-amine is sourced from PubChem (CID 168928871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).