2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine

C12H16N4S — CID 80851272

IUPAC2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccsc2)nc(C)n1
InChIInChI=1S/C12H16N4S/c1-3-5-13-11-7-12(15-9(2)14-11)16-10-4-6-17-8-10/h4,6-8H,3,5H2,1-2H3,(H2,13,14,15,16)
InChIKeyVWLRIVGSFHDNSM-UHFFFAOYSA-N
MW248.36 g/mol
LogP3.41
Rot. Bonds5

About 2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine

2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine (PubChem CID 80851272) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is 2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
PubChem CID80851272
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccsc2)nc(C)n1
InChIInChI=1S/C12H16N4S/c1-3-5-13-11-7-12(15-9(2)14-11)16-10-4-6-17-8-10/h4,6-8H,3,5H2,1-2H3,(H2,13,14,15,16)
InChIKeyVWLRIVGSFHDNSM-UHFFFAOYSA-N
XLogP3.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine
CID 80851429
2-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80824404
2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565395
2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine
CID 112876247
6-N-butyl-4-N-(4-tert-butylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867942
4-N-(2,6-diethylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 112867244
2-methyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80849853
4-N-(3-fluoro-4-methoxyphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80771186
6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 107361034
6-N-butyl-4-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112867947
2-methyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791910
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine (CID 80851272) is 2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine is CCCNc1cc(Nc2ccsc2)nc(C)n1.
What is the InChIKey of 2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine?
The InChIKey is VWLRIVGSFHDNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-5-13-11-7-12(15-9(2)14-11)16-10-4-6-17-8-10/h4,6-8H,3,5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine?
2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine has a molecular weight of 248.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80851272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).