N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine

C11H19N3S — CID 65129176

IUPACN-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
SMILESCCCSCc1nc(C)cc(NCC)n1
InChIInChI=1S/C11H19N3S/c1-4-6-15-8-11-13-9(3)7-10(14-11)12-5-2/h7H,4-6,8H2,1-3H3,(H,12,13,14)
InChIKeyLSJINHYKMCKIST-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.86
Rot. Bonds6

About N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine

N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 65129176) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
PubChem CID65129176
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
SMILESCCCSCc1nc(C)cc(NCC)n1
InChIInChI=1S/C11H19N3S/c1-4-6-15-8-11-13-9(3)7-10(14-11)12-5-2/h7H,4-6,8H2,1-3H3,(H,12,13,14)
InChIKeyLSJINHYKMCKIST-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-6-phenyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65129120
N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65128593
2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
N-ethyl-6-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191589
2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80654078
N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 80655030
N-[[6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65129070
6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 113390479
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine
CID 80654720
2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 62191071
2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methylsulfanyl]-N,N-dimethylethanamine
CID 80656245

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine (CID 65129176) is N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine is CCCSCc1nc(C)cc(NCC)n1.
What is the InChIKey of N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is LSJINHYKMCKIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-6-15-8-11-13-9(3)7-10(14-11)12-5-2/h7H,4-6,8H2,1-3H3,(H,12,13,14).
What are the key properties of N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 225.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 65129176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).