2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

C17H12F3N5S — CID 56928541

IUPAC2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccn[nH]3)nc(C(F)(F)c3ccc(F)cc3)nc2s1
InChIInChI=1S/C17H12F3N5S/c1-9-8-12-14(22-13-6-7-21-25-13)23-16(24-15(12)26-9)17(19,20)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,22,23,24,25)
InChIKeyIFOLMITVQZMKSI-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.75
Rot. Bonds4

About 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 56928541) has the molecular formula C17H12F3N5S and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID56928541
Molecular FormulaC17H12F3N5S
Molecular Weight375.38 g/mol
Exact Mass375.08
IUPAC Name2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccn[nH]3)nc(C(F)(F)c3ccc(F)cc3)nc2s1
InChIInChI=1S/C17H12F3N5S/c1-9-8-12-14(22-13-6-7-21-25-13)23-16(24-15(12)26-9)17(19,20)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,22,23,24,25)
InChIKeyIFOLMITVQZMKSI-UHFFFAOYSA-N
XLogP4.75
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4060721
4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107531844
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320288
N-(4-fluorophenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71690988
5-[difluoro-(4-fluorophenyl)methyl]-2-N-methyl-7-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
CID 56941545
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334873
2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66064348
4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323316
2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320354
benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 166120001
[2-(4-fluoro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 81278265
N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 154490597

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (CID 56928541) is 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3ccn[nH]3)nc(C(F)(F)c3ccc(F)cc3)nc2s1.
What is the InChIKey of 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IFOLMITVQZMKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5S/c1-9-8-12-14(22-13-6-7-21-25-13)23-16(24-15(12)26-9)17(19,20)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 375.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 56928541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).