4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine

C13H23N3S — CID 107765913

IUPAC4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(SCCC(C)C)n1
InChIInChI=1S/C13H23N3S/c1-5-7-14-13-15-11(4)9-12(16-13)17-8-6-10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyFJQVCCLYXZVLOE-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.75
Rot. Bonds7

About 4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine

4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine (PubChem CID 107765913) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
PubChem CID107765913
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(SCCC(C)C)n1
InChIInChI=1S/C13H23N3S/c1-5-7-14-13-15-11(4)9-12(16-13)17-8-6-10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyFJQVCCLYXZVLOE-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylamino)ethylsulfanyl]-6-methyl-N-propylpyrimidin-2-amine
CID 80895426
4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107766037
6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 107766055
4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80839957
4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796012
6-(3-methylbutylsulfanyl)-N-propylpyridin-2-amine
CID 107765885
4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine
CID 107765966
[2-methyl-6-(3-methylbutylsulfanyl)-4-pyridinyl]methanamine
CID 107752126
4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895254
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine (CID 107765913) is 4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(SCCC(C)C)n1.
What is the InChIKey of 4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine?
The InChIKey is FJQVCCLYXZVLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-5-7-14-13-15-11(4)9-12(16-13)17-8-6-10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of 4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine?
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 107765913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).