N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine

C16H21N3OS — CID 115916062

IUPACN-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine
SMILESCCNc1cc(SCCCOC)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3OS/c1-3-17-14-12-15(21-11-7-10-20-2)19-16(18-14)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,18,19)
InChIKeyHGGWXWAVHIPOSF-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.70
Rot. Bonds8

About N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine

N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine (PubChem CID 115916062) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine
PubChem CID115916062
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine
SMILESCCNc1cc(SCCCOC)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21N3OS/c1-3-17-14-12-15(21-11-7-10-20-2)19-16(18-14)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,18,19)
InChIKeyHGGWXWAVHIPOSF-UHFFFAOYSA-N
XLogP3.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.70
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-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine
CID 115916346
6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine
CID 115916084
6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine
CID 112559946
N-ethyl-6-(3-methoxypropylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775212
3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 115916082
N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine
CID 112559927
N-ethyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915870
6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine
CID 112559921
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112880400
(6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine
CID 112560009
N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine (CID 115916062) is N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine is CCNc1cc(SCCCOC)nc(-c2ccccc2)n1.
What is the InChIKey of N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine?
The InChIKey is HGGWXWAVHIPOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-17-14-12-15(21-11-7-10-20-2)19-16(18-14)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine?
N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine has a molecular weight of 303.43 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115916062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).