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

C14H23N3S — CID 80990882

IUPAC6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCCCSc1nc(C2CC2)nc(NCC)c1C
InChIInChI=1S/C14H23N3S/c1-4-6-9-18-14-10(3)12(15-5-2)16-13(17-14)11-7-8-11/h11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyWLXDKZSNBGVNEY-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.99
Rot. Bonds7

About 6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine

6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80990882) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80990882
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCCCSc1nc(C2CC2)nc(NCC)c1C
InChIInChI=1S/C14H23N3S/c1-4-6-9-18-14-10(3)12(15-5-2)16-13(17-14)11-7-8-11/h11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyWLXDKZSNBGVNEY-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.99
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

2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine
CID 107765323
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765745
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
(2-cyclopropyl-5-methyl-6-propylsulfanylpyrimidin-4-yl)hydrazine
CID 81000764
2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
CID 80985625
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80994859
6-[(5-bromo-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80995476
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80989884
2-cyclopropyl-N-ethyl-5-methyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80990645
3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311788
2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80988977
2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80995867

Frequently Asked Questions

What is the IUPAC name of 6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine (CID 80990882) is 6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine is CCCCSc1nc(C2CC2)nc(NCC)c1C.
What is the InChIKey of 6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is WLXDKZSNBGVNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-4-6-9-18-14-10(3)12(15-5-2)16-13(17-14)11-7-8-11/h11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 265.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80990882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).