4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine

C12H15N3OS — CID 112686316

IUPAC4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine
SMILESCOc1ccnc(NC(C)Cc2ccsc2)n1
InChIInChI=1S/C12H15N3OS/c1-9(7-10-4-6-17-8-10)14-12-13-5-3-11(15-12)16-2/h3-6,8-9H,7H2,1-2H3,(H,13,14,15)
InChIKeyYEAMIITZKGATLD-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.59
Rot. Bonds5

About 4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine

4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine (PubChem CID 112686316) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine
PubChem CID112686316
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine
SMILESCOc1ccnc(NC(C)Cc2ccsc2)n1
InChIInChI=1S/C12H15N3OS/c1-9(7-10-4-6-17-8-10)14-12-13-5-3-11(15-12)16-2/h3-6,8-9H,7H2,1-2H3,(H,13,14,15)
InChIKeyYEAMIITZKGATLD-UHFFFAOYSA-N
XLogP2.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
CID 112685174
4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 112688333
7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine
CID 106538064
N-(1-thiophen-3-ylpropan-2-yl)quinazolin-2-amine
CID 114788976
4-hydrazinyl-6-propoxy-N-(1-thiophen-3-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 80901076
1-[4-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)pyrimidin-5-yl]ethanone
CID 135109399
N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine
CID 115975024
6-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 63588798
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
4,6-dimethoxy-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 115355116
3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82817299
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine (CID 112686316) is 4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine is COc1ccnc(NC(C)Cc2ccsc2)n1.
What is the InChIKey of 4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine?
The InChIKey is YEAMIITZKGATLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9(7-10-4-6-17-8-10)14-12-13-5-3-11(15-12)16-2/h3-6,8-9H,7H2,1-2H3,(H,13,14,15).
What are the key properties of 4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine?
4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 112686316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).