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

C16H24N4S — CID 80986272

IUPAC2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(N(C)Cc2ccsc2)c1C
InChIInChI=1S/C16H24N4S/c1-5-8-17-15-12(3)16(19-14(6-2)18-15)20(4)10-13-7-9-21-11-13/h7,9,11H,5-6,8,10H2,1-4H3,(H,17,18,19)
InChIKeyYZADSDPEYRHFRA-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.87
Rot. Bonds7

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

2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80986272) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80986272
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(CC)nc(N(C)Cc2ccsc2)c1C
InChIInChI=1S/C16H24N4S/c1-5-8-17-15-12(3)16(19-14(6-2)18-15)20(4)10-13-7-9-21-11-13/h7,9,11H,5-6,8,10H2,1-4H3,(H,17,18,19)
InChIKeyYZADSDPEYRHFRA-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

6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986270
6-N,2-diethyl-5-methyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80987280
5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984277
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982738
2-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80993430
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80995510
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984435
3-[[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol
CID 80993026
N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62279602
4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80993958
2-ethyl-4-N-(furan-3-ylmethyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80987787
4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994284

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (CID 80986272) is 2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is CCCNc1nc(CC)nc(N(C)Cc2ccsc2)c1C.
What is the InChIKey of 2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is YZADSDPEYRHFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-5-8-17-15-12(3)16(19-14(6-2)18-15)20(4)10-13-7-9-21-11-13/h7,9,11H,5-6,8,10H2,1-4H3,(H,17,18,19).
What are the key properties of 2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
2-ethyl-4-N,5-dimethyl-6-N-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 2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80986272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).