6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

C16H24N4S — CID 80986270

IUPAC6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(N(C)Cc2ccsc2)n1
InChIInChI=1S/C16H24N4S/c1-5-7-14-18-15(17-6-2)12(3)16(19-14)20(4)10-13-8-9-21-11-13/h8-9,11H,5-7,10H2,1-4H3,(H,17,18,19)
InChIKeyQYATUIMRCGECGX-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.87
Rot. Bonds7

About 6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80986270) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80986270
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(N(C)Cc2ccsc2)n1
InChIInChI=1S/C16H24N4S/c1-5-7-14-18-15(17-6-2)12(3)16(19-14)20(4)10-13-8-9-21-11-13/h8-9,11H,5-7,10H2,1-4H3,(H,17,18,19)
InChIKeyQYATUIMRCGECGX-UHFFFAOYSA-N
XLogP3.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986272
5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984277
6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985045
6-N,2-diethyl-5-methyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80987280
6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80986177
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324924
6-N-ethyl-4-N-methyl-5-nitro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80782374
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine
CID 80774533
6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80950446
5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine
CID 80976401
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80749797
4-N-cyclopentyl-6-N-ethyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80993281

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (CID 80986270) is 6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is CCCc1nc(NCC)c(C)c(N(C)Cc2ccsc2)n1.
What is the InChIKey of 6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is QYATUIMRCGECGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-5-7-14-18-15(17-6-2)12(3)16(19-14)20(4)10-13-8-9-21-11-13/h8-9,11H,5-7,10H2,1-4H3,(H,17,18,19).
What are the key properties of 6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80986270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).