6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine

C15H19N3OS — CID 66326429

IUPAC6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
SMILESCCOc1ncnc(NCCSc2ccccc2)c1C
InChIInChI=1S/C15H19N3OS/c1-3-19-15-12(2)14(17-11-18-15)16-9-10-20-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,16,17,18)
InChIKeySRIPOXHETUBCFH-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.39
Rot. Bonds7

About 6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine

6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine (PubChem CID 66326429) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
PubChem CID66326429
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
SMILESCCOc1ncnc(NCCSc2ccccc2)c1C
InChIInChI=1S/C15H19N3OS/c1-3-19-15-12(2)14(17-11-18-15)16-9-10-20-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,16,17,18)
InChIKeySRIPOXHETUBCFH-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-5-methyl-N-pent-3-ynylpyrimidin-4-amine
CID 116644552
N-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 106405169
6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 66325604
methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate
CID 66326780
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 114098261
N-(2-chloro-1-phenylethyl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327620
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 66325613
6-methoxy-5-methyl-N-(3-phenoxypropyl)pyrimidin-4-amine
CID 66324814
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 66326842
N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine
CID 80872107

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine (CID 66326429) is 6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine is CCOc1ncnc(NCCSc2ccccc2)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine?
The InChIKey is SRIPOXHETUBCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-19-15-12(2)14(17-11-18-15)16-9-10-20-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine?
6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine has a molecular weight of 289.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine is sourced from PubChem (CID 66326429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).