2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide

C15H15N5O2S — CID 44520986

IUPAC2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3csc(C)n3)nc(N)n2)o1
InChIInChI=1S/C15H15N5O2S/c1-8-3-4-13(22-8)11-5-12(20-15(16)19-11)14(21)17-6-10-7-23-9(2)18-10/h3-5,7H,6H2,1-2H3,(H,17,21)(H2,16,19,20)
InChIKeyIASIGJTVTSPGAJ-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.32
Rot. Bonds4

About 2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide

2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 44520986) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide
PubChem CID44520986
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3csc(C)n3)nc(N)n2)o1
InChIInChI=1S/C15H15N5O2S/c1-8-3-4-13(22-8)11-5-12(20-15(16)19-11)14(21)17-6-10-7-23-9(2)18-10/h3-5,7H,6H2,1-2H3,(H,17,21)(H2,16,19,20)
InChIKeyIASIGJTVTSPGAJ-UHFFFAOYSA-N
XLogP2.32
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide (CID 44520986) is 2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3csc(C)n3)nc(N)n2)o1.
What is the InChIKey of 2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is IASIGJTVTSPGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-8-3-4-13(22-8)11-5-12(20-15(16)19-11)14(21)17-6-10-7-23-9(2)18-10/h3-5,7H,6H2,1-2H3,(H,17,21)(H2,16,19,20).
What are the key properties of 2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 44520986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).