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

C18H16FN5OS — CID 56928758

IUPAC2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2sccc2n1
InChIInChI=1S/C18H16FN5OS/c1-10-9-14(24-23-10)21-18-16-13(7-8-26-16)20-17(22-18)15(25-2)11-3-5-12(19)6-4-11/h3-9,15H,1-2H3,(H2,20,21,22,23,24)
InChIKeyMFVVCMWWXKNAMO-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.34
Rot. Bonds5

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

2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 56928758) has the molecular formula C18H16FN5OS and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID56928758
Molecular FormulaC18H16FN5OS
Molecular Weight369.43 g/mol
Exact Mass369.11
IUPAC Name2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2sccc2n1
InChIInChI=1S/C18H16FN5OS/c1-10-9-14(24-23-10)21-18-16-13(7-8-26-16)20-17(22-18)15(25-2)11-3-5-12(19)6-4-11/h3-9,15H,1-2H3,(H2,20,21,22,23,24)
InChIKeyMFVVCMWWXKNAMO-UHFFFAOYSA-N
XLogP4.34
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (CID 56928758) is 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is COC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2sccc2n1.
What is the InChIKey of 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is MFVVCMWWXKNAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5OS/c1-10-9-14(24-23-10)21-18-16-13(7-8-26-16)20-17(22-18)15(25-2)11-3-5-12(19)6-4-11/h3-9,15H,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 369.43 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 56928758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).