5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine

C17H26N4S — CID 46988221

IUPAC5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine
SMILESCCC(C)N(Cc1cnc(NC(C)C)nc1)Cc1ccsc1
InChIInChI=1S/C17H26N4S/c1-5-14(4)21(10-15-6-7-22-12-15)11-16-8-18-17(19-9-16)20-13(2)3/h6-9,12-14H,5,10-11H2,1-4H3,(H,18,19,20)
InChIKeyQXXGEVZNOKXKBW-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.16
Rot. Bonds8

About 5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine

5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 46988221) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is 5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID46988221
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine
SMILESCCC(C)N(Cc1cnc(NC(C)C)nc1)Cc1ccsc1
InChIInChI=1S/C17H26N4S/c1-5-14(4)21(10-15-6-7-22-12-15)11-16-8-18-17(19-9-16)20-13(2)3/h6-9,12-14H,5,10-11H2,1-4H3,(H,18,19,20)
InChIKeyQXXGEVZNOKXKBW-UHFFFAOYSA-N
XLogP4.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine (CID 46988221) is 5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine is CCC(C)N(Cc1cnc(NC(C)C)nc1)Cc1ccsc1.
What is the InChIKey of 5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is QXXGEVZNOKXKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-5-14(4)21(10-15-6-7-22-12-15)11-16-8-18-17(19-9-16)20-13(2)3/h6-9,12-14H,5,10-11H2,1-4H3,(H,18,19,20).
What are the key properties of 5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine?
5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 318.49 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butan-2-yl(thiophen-3-ylmethyl)amino]methyl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 46988221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).