2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine

C16H24N4S — CID 80784345

IUPAC2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NC(C)c2ccc(C)s2)c1C
InChIInChI=1S/C16H24N4S/c1-6-9-17-15-11(3)16(20-13(5)19-15)18-12(4)14-8-7-10(2)21-14/h7-8,12H,6,9H2,1-5H3,(H2,17,18,19,20)
InChIKeyBOVGXPBVLLFSKQ-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.46
Rot. Bonds6

About 2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine

2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80784345) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80784345
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NC(C)c2ccc(C)s2)c1C
InChIInChI=1S/C16H24N4S/c1-6-9-17-15-11(3)16(20-13(5)19-15)18-12(4)14-8-7-10(2)21-14/h7-8,12H,6,9H2,1-5H3,(H2,17,18,19,20)
InChIKeyBOVGXPBVLLFSKQ-UHFFFAOYSA-N
XLogP4.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780005
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80835008
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80803114
6-N-ethyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80784346
5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986072
N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
CID 43109777
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-1-amine
CID 63490848
2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
CID 115327725
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine (CID 80784345) is 2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(NC(C)c2ccc(C)s2)c1C.
What is the InChIKey of 2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is BOVGXPBVLLFSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-6-9-17-15-11(3)16(20-13(5)19-15)18-12(4)14-8-7-10(2)21-14/h7-8,12H,6,9H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80784345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).