6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine

C16H24N4S — CID 80992880

IUPAC6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NCc2sccc2C)n1
InChIInChI=1S/C16H24N4S/c1-5-7-14-19-15(17-6-2)12(4)16(20-14)18-10-13-11(3)8-9-21-13/h8-9H,5-7,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyAKINUTFTVIIWFX-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.15
Rot. Bonds7

About 6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80992880) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80992880
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NCc2sccc2C)n1
InChIInChI=1S/C16H24N4S/c1-5-7-14-19-15(17-6-2)12(4)16(20-14)18-10-13-11(3)8-9-21-13/h8-9H,5-7,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyAKINUTFTVIIWFX-UHFFFAOYSA-N
XLogP4.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 81007066
N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80978253
2-tert-butyl-6-N,5-dimethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80992792
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329049
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]quinazoline-2,4-diamine
CID 80839993
N,5-dimethyl-6-(3-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
CID 80977443
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
3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine
CID 34013980
2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958954
6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80987408
6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 115474328

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80992880) is 6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)c(C)c(NCc2sccc2C)n1.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is AKINUTFTVIIWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-5-7-14-19-15(17-6-2)12(4)16(20-14)18-10-13-11(3)8-9-21-13/h8-9H,5-7,10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80992880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).