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

C16H23N3OS — CID 115974776

IUPAC4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC(CCC)c2cccs2)n1
InChIInChI=1S/C16H23N3OS/c1-4-7-13(14-8-6-10-21-14)18-16-17-12(3)11-15(19-16)20-9-5-2/h6,8,10-11,13H,4-5,7,9H2,1-3H3,(H,17,18,19)
InChIKeyDERXGJVBBMMSRO-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.59
Rot. Bonds8

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

4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine (PubChem CID 115974776) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
PubChem CID115974776
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC(CCC)c2cccs2)n1
InChIInChI=1S/C16H23N3OS/c1-4-7-13(14-8-6-10-21-14)18-16-17-12(3)11-15(19-16)20-9-5-2/h6,8,10-11,13H,4-5,7,9H2,1-3H3,(H,17,18,19)
InChIKeyDERXGJVBBMMSRO-UHFFFAOYSA-N
XLogP4.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 112636733
4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 112637254
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637867
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
6-ethoxy-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 63588984
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115974734
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370
N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
CID 80872249
4-hydrazinyl-6-methoxy-N-(1-thiophen-2-ylbutyl)-1,3,5-triazin-2-amine
CID 80897742

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine (CID 115974776) is 4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine is CCCOc1cc(C)nc(NC(CCC)c2cccs2)n1.
What is the InChIKey of 4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine?
The InChIKey is DERXGJVBBMMSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-7-13(14-8-6-10-21-14)18-16-17-12(3)11-15(19-16)20-9-5-2/h6,8,10-11,13H,4-5,7,9H2,1-3H3,(H,17,18,19).
What are the key properties of 4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine?
4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine has a molecular weight of 305.45 g/mol, XLogP of 4.59, 8 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-ylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 115974776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).