2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide

C19H15N5O2S — CID 11451719

IUPAC2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccc(-c3ccccn3)s2)cc(-c2ccco2)n1
InChIInChI=1S/C19H15N5O2S/c20-19-23-14(16-5-3-9-26-16)10-15(24-19)18(25)22-11-12-6-7-17(27-12)13-4-1-2-8-21-13/h1-10H,11H2,(H,22,25)(H2,20,23,24)
InChIKeyCZAAAZZCWAQGOX-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.37
Rot. Bonds5

About 2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide

2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 11451719) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide
PubChem CID11451719
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccc(-c3ccccn3)s2)cc(-c2ccco2)n1
InChIInChI=1S/C19H15N5O2S/c20-19-23-14(16-5-3-9-26-16)10-15(24-19)18(25)22-11-12-6-7-17(27-12)13-4-1-2-8-21-13/h1-10H,11H2,(H,22,25)(H2,20,23,24)
InChIKeyCZAAAZZCWAQGOX-UHFFFAOYSA-N
XLogP3.37
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide (CID 11451719) is 2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide is Nc1nc(C(=O)NCc2ccc(-c3ccccn3)s2)cc(-c2ccco2)n1.
What is the InChIKey of 2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is CZAAAZZCWAQGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c20-19-23-14(16-5-3-9-26-16)10-15(24-19)18(25)22-11-12-6-7-17(27-12)13-4-1-2-8-21-13/h1-10H,11H2,(H,22,25)(H2,20,23,24).
What are the key properties of 2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(furan-2-yl)-N-[(5-pyridin-2-ylthiophen-2-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 11451719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).