4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine

C15H13ClF3N7 — CID 19154412

IUPAC4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
SMILESCc1cc(C)n(-c2ncnc(Nc3ncc(C(F)(F)F)cc3Cl)c2N)n1
InChIInChI=1S/C15H13ClF3N7/c1-7-3-8(2)26(25-7)14-11(20)13(22-6-23-14)24-12-10(16)4-9(5-21-12)15(17,18)19/h3-6H,20H2,1-2H3,(H,21,22,23,24)
InChIKeyIIHDGEZXZMFOFA-UHFFFAOYSA-N
MW383.77 g/mol
LogP3.67
Rot. Bonds3

About 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine

4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine (PubChem CID 19154412) has the molecular formula C15H13ClF3N7 and a molecular weight of 383.77 g/mol. Its IUPAC name is 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
PubChem CID19154412
Molecular FormulaC15H13ClF3N7
Molecular Weight383.77 g/mol
Exact Mass383.09
IUPAC Name4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
SMILESCc1cc(C)n(-c2ncnc(Nc3ncc(C(F)(F)F)cc3Cl)c2N)n1
InChIInChI=1S/C15H13ClF3N7/c1-7-3-8(2)26(25-7)14-11(20)13(22-6-23-14)24-12-10(16)4-9(5-21-12)15(17,18)19/h3-6H,20H2,1-2H3,(H,21,22,23,24)
InChIKeyIIHDGEZXZMFOFA-UHFFFAOYSA-N
XLogP3.67
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.77
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 19137604
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-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143265
4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 22541100
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138687
4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
CID 23477640
4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
CID 19152787
6-(4-benzylpiperazin-1-yl)-4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine
CID 19139389
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-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142964
methyl 4-[[5-amino-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzoate
CID 19149489
6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine
CID 19135549

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine (CID 19154412) is 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine is Cc1cc(C)n(-c2ncnc(Nc3ncc(C(F)(F)F)cc3Cl)c2N)n1.
What is the InChIKey of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine?
The InChIKey is IIHDGEZXZMFOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N7/c1-7-3-8(2)26(25-7)14-11(20)13(22-6-23-14)24-12-10(16)4-9(5-21-12)15(17,18)19/h3-6H,20H2,1-2H3,(H,21,22,23,24).
What are the key properties of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine?
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine has a molecular weight of 383.77 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19154412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).