N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

C16H12Cl2F3N5 — CID 133380378

IUPACN-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1c(CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc(Cl)c1Cl
InChIInChI=1S/C16H12Cl2F3N5/c1-26-10(5-11(17)14(26)18)8-23-13-6-12(16(19,20)21)24-15(25-13)9-3-2-4-22-7-9/h2-7H,8H2,1H3,(H,23,24,25)
InChIKeyWUMGJQGLXFVLHY-UHFFFAOYSA-N
MW402.21 g/mol
LogP4.81
Rot. Bonds4

About N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133380378) has the molecular formula C16H12Cl2F3N5 and a molecular weight of 402.21 g/mol. Its IUPAC name is N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133380378
Molecular FormulaC16H12Cl2F3N5
Molecular Weight402.21 g/mol
Exact Mass401.04
IUPAC NameN-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1c(CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc(Cl)c1Cl
InChIInChI=1S/C16H12Cl2F3N5/c1-26-10(5-11(17)14(26)18)8-23-13-6-12(16(19,20)21)24-15(25-13)9-3-2-4-22-7-9/h2-7H,8H2,1H3,(H,23,24,25)
InChIKeyWUMGJQGLXFVLHY-UHFFFAOYSA-N
XLogP4.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.21
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 136526304
2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133353265
3,4-diethyl-5-[[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1H-pyridazin-6-one
CID 133367453
N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 21304988
methyl 2,2,3-trimethyl-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoate
CID 133350083
[4-methyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-3-yl]methanol
CID 133385477
6-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-2-carbonitrile
CID 133380353
N-(5-methoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 10269879
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133435345
N-(4-chloro-2,5-dimethoxyphenyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine;N-(4,5-dimethoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine;hydrochloride
CID 159383458
3-tert-butyl-5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-amine
CID 133369566
3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 133490846

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133380378) is N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is Cn1c(CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)cc(Cl)c1Cl.
What is the InChIKey of N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WUMGJQGLXFVLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3N5/c1-26-10(5-11(17)14(26)18)8-23-13-6-12(16(19,20)21)24-15(25-13)9-3-2-4-22-7-9/h2-7H,8H2,1H3,(H,23,24,25).
What are the key properties of N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 402.21 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133380378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).