4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine

C11H19N3S — CID 80884313

IUPAC4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCCCSc1nc(NCC)ncc1C
InChIInChI=1S/C11H19N3S/c1-4-6-7-15-10-9(3)8-13-11(14-10)12-5-2/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyYGCKYCSRSRPMBZ-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.11
Rot. Bonds6

About 4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine

4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine (PubChem CID 80884313) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine
PubChem CID80884313
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCCCSc1nc(NCC)ncc1C
InChIInChI=1S/C11H19N3S/c1-4-6-7-15-10-9(3)8-13-11(14-10)12-5-2/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyYGCKYCSRSRPMBZ-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

Computed Properties (RDKit)

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

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Related Compounds

N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine
CID 80887439
N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
CID 80887050
2-chloro-5-methyl-4-pentylsulfanylpyrimidine
CID 107751108
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 80890440
2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885145
5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307
4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80754474
N-ethyl-5-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928372
N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80893375
(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine
CID 80921912
N-ethyl-5-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80893038
N-ethyl-5-methyl-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine
CID 80892340

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine?
The IUPAC name of 4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine (CID 80884313) is 4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine is CCCCSc1nc(NCC)ncc1C.
What is the InChIKey of 4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine?
The InChIKey is YGCKYCSRSRPMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-6-7-15-10-9(3)8-13-11(14-10)12-5-2/h8H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of 4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine?
4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-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 4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80884313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).