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

C13H23N3S — CID 107765749

IUPACN-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(SCC(C)CC)n1
InChIInChI=1S/C13H23N3S/c1-5-7-11-15-12(14-4)8-13(16-11)17-9-10(3)6-2/h8,10H,5-7,9H2,1-4H3,(H,14,15,16)
InChIKeyKIMAFPKWOAJQFB-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.61
Rot. Bonds7

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

N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine (PubChem CID 107765749) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
PubChem CID107765749
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(SCC(C)CC)n1
InChIInChI=1S/C13H23N3S/c1-5-7-11-15-12(14-4)8-13(16-11)17-9-10(3)6-2/h8,10H,5-7,9H2,1-4H3,(H,14,15,16)
InChIKeyKIMAFPKWOAJQFB-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-methylpropylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947009
N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine
CID 80942803
2-ethyl-N-methyl-6-propylsulfanylpyrimidin-4-amine
CID 80937028
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
3-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80937744
6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine
CID 80947316
6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine
CID 80949638
6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107765811
6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962306
N-methyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80949864
N-methyl-2-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80947049

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine (CID 107765749) is N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(SCC(C)CC)n1.
What is the InChIKey of N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine?
The InChIKey is KIMAFPKWOAJQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-5-7-11-15-12(14-4)8-13(16-11)17-9-10(3)6-2/h8,10H,5-7,9H2,1-4H3,(H,14,15,16).
What are the key properties of N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine?
N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 107765749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).