4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine

C14H12N4OS — CID 141147903

IUPAC4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2ccc(-c3ccnc(N)n3)s2)cn1
InChIInChI=1S/C14H12N4OS/c1-19-13-5-2-9(8-17-13)11-3-4-12(20-11)10-6-7-16-14(15)18-10/h2-8H,1H3,(H2,15,16,18)
InChIKeyGRTSMEZBTOMVOD-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.86
Rot. Bonds3

About 4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine

4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine (PubChem CID 141147903) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine
PubChem CID141147903
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2ccc(-c3ccnc(N)n3)s2)cn1
InChIInChI=1S/C14H12N4OS/c1-19-13-5-2-9(8-17-13)11-3-4-12(20-11)10-6-7-16-14(15)18-10/h2-8H,1H3,(H2,15,16,18)
InChIKeyGRTSMEZBTOMVOD-UHFFFAOYSA-N
XLogP2.86
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-amino-3-pyridinyl)pyrimidin-2-amine
CID 130204719
4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831883
4-(6-methoxy-2-pyridinyl)pyrimidin-2-amine
CID 130049203
5-(6-methoxy-3-pyridinyl)-6-methylpyridin-2-amine
CID 11171929
4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine
CID 141147882
4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine
CID 2739891
4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 1476734
6-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938348
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine
CID 170970474
4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine
CID 82291455
6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine
CID 80946553

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine (CID 141147903) is 4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine is COc1ccc(-c2ccc(-c3ccnc(N)n3)s2)cn1.
What is the InChIKey of 4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine?
The InChIKey is GRTSMEZBTOMVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-19-13-5-2-9(8-17-13)11-3-4-12(20-11)10-6-7-16-14(15)18-10/h2-8H,1H3,(H2,15,16,18).
What are the key properties of 4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine?
4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine has a molecular weight of 284.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 141147903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).