4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine

C12H22N4S — CID 80895426

IUPAC4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(SCCN(C)C)n1
InChIInChI=1S/C12H22N4S/c1-5-6-13-12-14-10(2)9-11(15-12)17-8-7-16(3)4/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyBHPCVWDIAXUKBY-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.26
Rot. Bonds7

About 4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine

4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine (PubChem CID 80895426) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine
PubChem CID80895426
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(SCCN(C)C)n1
InChIInChI=1S/C12H22N4S/c1-5-6-13-12-14-10(2)9-11(15-12)17-8-7-16(3)4/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyBHPCVWDIAXUKBY-UHFFFAOYSA-N
XLogP2.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 80816858
4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566898
N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80883438
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylethanamine
CID 747180
4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895254
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112913006
4-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891725
4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887590
4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796012
4-N,6-dimethyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80793518
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80800452

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine (CID 80895426) is 4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(SCCN(C)C)n1.
What is the InChIKey of 4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine?
The InChIKey is BHPCVWDIAXUKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-5-6-13-12-14-10(2)9-11(15-12)17-8-7-16(3)4/h9H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of 4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine?
4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80895426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).