2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine

C11H19N3S — CID 80886667

IUPAC2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
SMILESCCCNc1cc(SCCC)nc(C)n1
InChIInChI=1S/C11H19N3S/c1-4-6-12-10-8-11(15-7-5-2)14-9(3)13-10/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyOZVJXYBCAVEANH-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.11
Rot. Bonds6

About 2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine

2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine (PubChem CID 80886667) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
PubChem CID80886667
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
SMILESCCCNc1cc(SCCC)nc(C)n1
InChIInChI=1S/C11H19N3S/c1-4-6-12-10-8-11(15-7-5-2)14-9(3)13-10/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyOZVJXYBCAVEANH-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine
CID 80888395
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
(6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine
CID 80921659
2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80891676
2-methyl-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106434022
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510
6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 107766055
6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine
CID 80947939
6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113401713
6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
CID 80883124
4-ethyl-3-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazol-5-one
CID 80892160
2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine (CID 80886667) is 2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine is CCCNc1cc(SCCC)nc(C)n1.
What is the InChIKey of 2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine?
The InChIKey is OZVJXYBCAVEANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-6-12-10-8-11(15-7-5-2)14-9(3)13-10/h8H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of 2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine?
2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine has a molecular weight of 225.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80886667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).