2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine

C16H16F3N5S — CID 146234493

IUPAC2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(NCc2ccc(C(F)(F)F)nc2)c2sccc2n1
InChIInChI=1S/C16H16F3N5S/c1-9(2)22-15-23-11-5-6-25-13(11)14(24-15)21-8-10-3-4-12(20-7-10)16(17,18)19/h3-7,9H,8H2,1-2H3,(H2,21,22,23,24)
InChIKeyNPFSPJZLIVAJLU-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.54
Rot. Bonds5

About 2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine

2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 146234493) has the molecular formula C16H16F3N5S and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID146234493
Molecular FormulaC16H16F3N5S
Molecular Weight367.40 g/mol
Exact Mass367.11
IUPAC Name2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(NCc2ccc(C(F)(F)F)nc2)c2sccc2n1
InChIInChI=1S/C16H16F3N5S/c1-9(2)22-15-23-11-5-6-25-13(11)14(24-15)21-8-10-3-4-12(20-7-10)16(17,18)19/h3-7,9H,8H2,1-2H3,(H2,21,22,23,24)
InChIKeyNPFSPJZLIVAJLU-UHFFFAOYSA-N
XLogP4.54
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 146234493) is 2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine is CC(C)Nc1nc(NCc2ccc(C(F)(F)F)nc2)c2sccc2n1.
What is the InChIKey of 2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is NPFSPJZLIVAJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5S/c1-9(2)22-15-23-11-5-6-25-13(11)14(24-15)21-8-10-3-4-12(20-7-10)16(17,18)19/h3-7,9H,8H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 367.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-yl-4-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 146234493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).