6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C16H16F3N7 — CID 131984393

IUPAC6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc(Nc2cn[nH]c2C(C)c2cccnc2)nc(N)c1C(F)(F)F
InChIInChI=1S/C16H16F3N7/c1-8(10-4-3-5-21-6-10)13-11(7-22-26-13)24-15-23-9(2)12(14(20)25-15)16(17,18)19/h3-8H,1-2H3,(H,22,26)(H3,20,23,24,25)
InChIKeyDUXHKTKHFPSMJH-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.40
Rot. Bonds4

About 6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 131984393) has the molecular formula C16H16F3N7 and a molecular weight of 363.35 g/mol. Its IUPAC name is 6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID131984393
Molecular FormulaC16H16F3N7
Molecular Weight363.35 g/mol
Exact Mass363.14
IUPAC Name6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc(Nc2cn[nH]c2C(C)c2cccnc2)nc(N)c1C(F)(F)F
InChIInChI=1S/C16H16F3N7/c1-8(10-4-3-5-21-6-10)13-11(7-22-26-13)24-15-23-9(2)12(14(20)25-15)16(17,18)19/h3-8H,1-2H3,(H,22,26)(H3,20,23,24,25)
InChIKeyDUXHKTKHFPSMJH-UHFFFAOYSA-N
XLogP3.40
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-N-[5-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 131984468
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
CID 103689442
2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
CID 24694524
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
N-(1-pyridin-3-ylethyl)-1H-indazol-4-amine
CID 54865736
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
3-[1-[5-(1-pyridin-3-ylethyl)thiophen-2-yl]ethyl]pyridine
CID 142174825
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
2,3,5-trimethyl-6-(1-pyridin-3-ylethyl)cyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 14277766

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 131984393) is 6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1nc(Nc2cn[nH]c2C(C)c2cccnc2)nc(N)c1C(F)(F)F.
What is the InChIKey of 6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is DUXHKTKHFPSMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7/c1-8(10-4-3-5-21-6-10)13-11(7-22-26-13)24-15-23-9(2)12(14(20)25-15)16(17,18)19/h3-8H,1-2H3,(H,22,26)(H3,20,23,24,25).
What are the key properties of 6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 363.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[5-(1-pyridin-3-ylethyl)-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 131984393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).