4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine

C16H18N4S — CID 80982098

IUPAC4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C16H18N4S/c1-3-4-14-19-15(17)10(2)16(20-14)18-12-5-6-13-11(9-12)7-8-21-13/h5-9H,3-4H2,1-2H3,(H3,17,18,19,20)
InChIKeyLPRKXNLUXSQXIH-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.28
Rot. Bonds4

About 4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine

4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80982098) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80982098
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C16H18N4S/c1-3-4-14-19-15(17)10(2)16(20-14)18-12-5-6-13-11(9-12)7-8-21-13/h5-9H,3-4H2,1-2H3,(H3,17,18,19,20)
InChIKeyLPRKXNLUXSQXIH-UHFFFAOYSA-N
XLogP4.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80977515
4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80977407
N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
CID 80946343
4-N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80976999
4-N-(1-benzothiophen-5-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80842791
4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80975992
N-(3,4-dichlorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007312
N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine
CID 65452767
N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937710
4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976447
5-N-(1-benzothiophen-5-yl)-1,3-dimethylpyrazole-4,5-diamine
CID 65473488
4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 106761086

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine (CID 80982098) is 4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(Nc2ccc3sccc3c2)n1.
What is the InChIKey of 4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is LPRKXNLUXSQXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-3-4-14-19-15(17)10(2)16(20-14)18-12-5-6-13-11(9-12)7-8-21-13/h5-9H,3-4H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 298.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).