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

C15H22N4S — CID 80818447

IUPAC5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2ccc(C)s2)c1CC
InChIInChI=1S/C15H22N4S/c1-4-8-16-14-13(5-2)15(19-10-18-14)17-9-12-7-6-11(3)20-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyDVQCAALXQRVYHJ-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.84
Rot. Bonds7

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

5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80818447) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80818447
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2ccc(C)s2)c1CC
InChIInChI=1S/C15H22N4S/c1-4-8-16-14-13(5-2)15(19-10-18-14)17-9-12-7-6-11(3)20-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyDVQCAALXQRVYHJ-UHFFFAOYSA-N
XLogP3.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80818107
6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 80908255
6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 103879890
6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
CID 63023616
4-N-[(4-chlorophenyl)methyl]-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80750556
5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80772654
6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80817701
5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60964837
5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898212
4-N-[(5-ethylthiophen-2-yl)methyl]-5-methylpyrimidine-4,6-diamine
CID 114137465
4-N-[(5-bromothiophen-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine
CID 80838008
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80818447) is 5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCc2ccc(C)s2)c1CC.
What is the InChIKey of 5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is DVQCAALXQRVYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-8-16-14-13(5-2)15(19-10-18-14)17-9-12-7-6-11(3)20-12/h6-7,10H,4-5,8-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80818447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).