4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide

C14H12N4O2S — CID 83567513

IUPAC4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
SMILESNc1nc(-c2cccs2)ncc1C(=O)NCc1ccco1
InChIInChI=1S/C14H12N4O2S/c15-12-10(14(19)17-7-9-3-1-5-20-9)8-16-13(18-12)11-4-2-6-21-11/h1-6,8H,7H2,(H,17,19)(H2,15,16,18)
InChIKeyYHNNZAAZUUSACH-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.31
Rot. Bonds4

About 4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide

4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide (PubChem CID 83567513) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
PubChem CID83567513
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide
SMILESNc1nc(-c2cccs2)ncc1C(=O)NCc1ccco1
InChIInChI=1S/C14H12N4O2S/c15-12-10(14(19)17-7-9-3-1-5-20-9)8-16-13(18-12)11-4-2-6-21-11/h1-6,8H,7H2,(H,17,19)(H2,15,16,18)
InChIKeyYHNNZAAZUUSACH-UHFFFAOYSA-N
XLogP2.31
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide (CID 83567513) is 4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide is Nc1nc(-c2cccs2)ncc1C(=O)NCc1ccco1.
What is the InChIKey of 4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
The InChIKey is YHNNZAAZUUSACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c15-12-10(14(19)17-7-9-3-1-5-20-9)8-16-13(18-12)11-4-2-6-21-11/h1-6,8H,7H2,(H,17,19)(H2,15,16,18).
What are the key properties of 4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide?
4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).