N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine

C13H17N3OS — CID 112638234

IUPACN-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCc1cscc1CNc1nccc(OC(C)C)n1
InChIInChI=1S/C13H17N3OS/c1-9(2)17-12-4-5-14-13(16-12)15-6-11-8-18-7-10(11)3/h4-5,7-9H,6H2,1-3H3,(H,14,15,16)
InChIKeyHKABDYXCSJNIDO-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.25
Rot. Bonds5

About N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine

N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112638234) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112638234
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCc1cscc1CNc1nccc(OC(C)C)n1
InChIInChI=1S/C13H17N3OS/c1-9(2)17-12-4-5-14-13(16-12)15-6-11-8-18-7-10(11)3/h4-5,7-9H,6H2,1-3H3,(H,14,15,16)
InChIKeyHKABDYXCSJNIDO-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-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637415
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637500
N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638872
4-N-[(4-methylthiophen-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80855068
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637612
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
CID 112637442
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
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 115586120

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine (CID 112638234) is N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine is Cc1cscc1CNc1nccc(OC(C)C)n1.
What is the InChIKey of N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is HKABDYXCSJNIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(2)17-12-4-5-14-13(16-12)15-6-11-8-18-7-10(11)3/h4-5,7-9H,6H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[(4-methylthiophen-3-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-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112638234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).