N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine

C13H17N3OS — CID 112637415

IUPACN-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCc1ccc(CNc2nccc(OC(C)C)n2)s1
InChIInChI=1S/C13H17N3OS/c1-9(2)17-12-6-7-14-13(16-12)15-8-11-5-4-10(3)18-11/h4-7,9H,8H2,1-3H3,(H,14,15,16)
InChIKeyYMFTXUAXFHZKLT-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.25
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine

N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112637415) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112637415
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCc1ccc(CNc2nccc(OC(C)C)n2)s1
InChIInChI=1S/C13H17N3OS/c1-9(2)17-12-6-7-14-13(16-12)15-8-11-5-4-10(3)18-11/h4-7,9H,8H2,1-3H3,(H,14,15,16)
InChIKeyYMFTXUAXFHZKLT-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637500
N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638234
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106048968
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638872
4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
CID 112637442
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 114137291
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975353
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637612

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine (CID 112637415) is N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine is Cc1ccc(CNc2nccc(OC(C)C)n2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is YMFTXUAXFHZKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(2)17-12-6-7-14-13(16-12)15-8-11-5-4-10(3)18-11/h4-7,9H,8H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112637415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).