4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine

C14H19N3OS — CID 112636733

IUPAC4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC(C)c2cccs2)n1
InChIInChI=1S/C14H19N3OS/c1-4-7-18-13-9-10(2)15-14(17-13)16-11(3)12-6-5-8-19-12/h5-6,8-9,11H,4,7H2,1-3H3,(H,15,16,17)
InChIKeyWVIPUUUPTWSUBD-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.81
Rot. Bonds6

About 4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine

4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine (PubChem CID 112636733) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
PubChem CID112636733
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC(C)c2cccs2)n1
InChIInChI=1S/C14H19N3OS/c1-4-7-18-13-9-10(2)15-14(17-13)16-11(3)12-6-5-8-19-12/h5-6,8-9,11H,4,7H2,1-3H3,(H,15,16,17)
InChIKeyWVIPUUUPTWSUBD-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 115974776
4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637867
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 112637254
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115974734
4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 115354957
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine
CID 106282926
4-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 62958907
N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434
1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 115974718
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine (CID 112636733) is 4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine is CCCOc1cc(C)nc(NC(C)c2cccs2)n1.
What is the InChIKey of 4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine?
The InChIKey is WVIPUUUPTWSUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-7-18-13-9-10(2)15-14(17-13)16-11(3)12-6-5-8-19-12/h5-6,8-9,11H,4,7H2,1-3H3,(H,15,16,17).
What are the key properties of 4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine?
4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine has a molecular weight of 277.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112636733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).