4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine

C18H16ClF3N6O2 — CID 19142964

IUPAC4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(Nc3ncc(C(F)(F)F)cc3Cl)c2N)c(OC)c1
InChIInChI=1S/C18H16ClF3N6O2/c1-29-10-3-4-12(13(6-10)30-2)27-16-14(23)17(26-8-25-16)28-15-11(19)5-9(7-24-15)18(20,21)22/h3-8H,23H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyRQEIBMJTNBCFEN-UHFFFAOYSA-N
MW440.81 g/mol
LogP4.63
Rot. Bonds6

About 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine

4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19142964) has the molecular formula C18H16ClF3N6O2 and a molecular weight of 440.81 g/mol. Its IUPAC name is 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19142964
Molecular FormulaC18H16ClF3N6O2
Molecular Weight440.81 g/mol
Exact Mass440.10
IUPAC Name4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Nc2ncnc(Nc3ncc(C(F)(F)F)cc3Cl)c2N)c(OC)c1
InChIInChI=1S/C18H16ClF3N6O2/c1-29-10-3-4-12(13(6-10)30-2)27-16-14(23)17(26-8-25-16)28-15-11(19)5-9(7-24-15)18(20,21)22/h3-8H,23H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyRQEIBMJTNBCFEN-UHFFFAOYSA-N
XLogP4.63
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.81
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142849
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143265
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine
CID 22541781
6-N-[(2-chlorophenyl)methyl]-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142949
methyl 4-[[5-amino-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzoate
CID 19149489
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545293
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 22533481
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
2-N-(2,4-dimethoxyphenyl)-5-methylpyridine-2,3-diamine
CID 66280389
6-N-(3-bromophenyl)-4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5,6-triamine
CID 19153003
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 19154412

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine (CID 19142964) is 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine is COc1ccc(Nc2ncnc(Nc3ncc(C(F)(F)F)cc3Cl)c2N)c(OC)c1.
What is the InChIKey of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is RQEIBMJTNBCFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N6O2/c1-29-10-3-4-12(13(6-10)30-2)27-16-14(23)17(26-8-25-16)28-15-11(19)5-9(7-24-15)18(20,21)22/h3-8H,23H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 440.81 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19142964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).