5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine

C15H21N3S — CID 80976401

IUPAC5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(-c2ccsc2)c1C
InChIInChI=1S/C15H21N3S/c1-4-6-13-17-14(12-7-9-19-10-12)11(3)15(18-13)16-8-5-2/h7,9-10H,4-6,8H2,1-3H3,(H,16,17,18)
InChIKeyOTRSLMCUHVFXQC-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.29
Rot. Bonds6

About 5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine

5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine (PubChem CID 80976401) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine
PubChem CID80976401
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(-c2ccsc2)c1C
InChIInChI=1S/C15H21N3S/c1-4-6-13-17-14(12-7-9-19-10-12)11(3)15(18-13)16-8-5-2/h7,9-10H,4-6,8H2,1-3H3,(H,16,17,18)
InChIKeyOTRSLMCUHVFXQC-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984277
6-(4-fluorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80977523
6-(4-chlorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80969852
5-methyl-6-(1-methylpyrazol-3-yl)-N,2-dipropylpyrimidin-4-amine
CID 103132116
6-N,2-diethyl-5-methyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80987280
6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985045
6-(1-ethylimidazol-2-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80974842
5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66306562
2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine
CID 80975147
2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80989648
6-(3-chlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80974794
2-ethyl-6-(3-fluoro-4-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 115502692

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of 5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine (CID 80976401) is 5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine is CCCNc1nc(CCC)nc(-c2ccsc2)c1C.
What is the InChIKey of 5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is OTRSLMCUHVFXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-6-13-17-14(12-7-9-19-10-12)11(3)15(18-13)16-8-5-2/h7,9-10H,4-6,8H2,1-3H3,(H,16,17,18).
What are the key properties of 5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine?
5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 275.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 80976401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).