2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine

C19H16F3N7 — CID 42668322

IUPAC2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCn1nc2nc(NCc3cccnc3)nc(-c3ccc(C(F)(F)F)cc3)c2c1N
InChIInChI=1S/C19H16F3N7/c1-29-16(23)14-15(12-4-6-13(7-5-12)19(20,21)22)26-18(27-17(14)28-29)25-10-11-3-2-8-24-9-11/h2-9H,10,23H2,1H3,(H,25,27,28)
InChIKeyRYMWFDPSDTTZRZ-UHFFFAOYSA-N
MW399.38 g/mol
LogP3.64
Rot. Bonds4

About 2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine

2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42668322) has the molecular formula C19H16F3N7 and a molecular weight of 399.38 g/mol. Its IUPAC name is 2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42668322
Molecular FormulaC19H16F3N7
Molecular Weight399.38 g/mol
Exact Mass399.14
IUPAC Name2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCn1nc2nc(NCc3cccnc3)nc(-c3ccc(C(F)(F)F)cc3)c2c1N
InChIInChI=1S/C19H16F3N7/c1-29-16(23)14-15(12-4-6-13(7-5-12)19(20,21)22)26-18(27-17(14)28-29)25-10-11-3-2-8-24-9-11/h2-9H,10,23H2,1H3,(H,25,27,28)
InChIKeyRYMWFDPSDTTZRZ-UHFFFAOYSA-N
XLogP3.64
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-4-(3-methylphenyl)-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669120
4-(2-fluoro-4-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667543
4-(4-fluorophenyl)-2-methyl-6-N-(2-thiophen-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667993
6-methyl-2-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112919664
2-tert-butyl-6-N-[(3-fluorophenyl)methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667649
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[1-methyl-6-(pyridin-3-ylmethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea
CID 10208932
4-phenyl-6-N-(2-pyridin-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807889
6-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542878
2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717377
3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818162
N-[4-(pyridin-3-ylmethylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 134108507
6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine
CID 25337273

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42668322) is 2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine is Cn1nc2nc(NCc3cccnc3)nc(-c3ccc(C(F)(F)F)cc3)c2c1N.
What is the InChIKey of 2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is RYMWFDPSDTTZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7/c1-29-16(23)14-15(12-4-6-13(7-5-12)19(20,21)22)26-18(27-17(14)28-29)25-10-11-3-2-8-24-9-11/h2-9H,10,23H2,1H3,(H,25,27,28).
What are the key properties of 2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine?
2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 399.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42668322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).