6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine

C19H19N3OS — CID 44816908

IUPAC6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine
SMILESCOc1cccc(CSc2nc(N)cc(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H19N3OS/c1-23-17-9-5-8-15(11-17)13-24-19-21-16(12-18(20)22-19)10-14-6-3-2-4-7-14/h2-9,11-12H,10,13H2,1H3,(H2,20,21,22)
InChIKeyNEIWFLIQHFOTGC-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.95
Rot. Bonds6

About 6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine

6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine (PubChem CID 44816908) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine
PubChem CID44816908
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine
SMILESCOc1cccc(CSc2nc(N)cc(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H19N3OS/c1-23-17-9-5-8-15(11-17)13-24-19-21-16(12-18(20)22-19)10-14-6-3-2-4-7-14/h2-9,11-12H,10,13H2,1H3,(H2,20,21,22)
InChIKeyNEIWFLIQHFOTGC-UHFFFAOYSA-N
XLogP3.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-(Benzyloxy)phenyl)-2-(ethylsulfinyl)-6-(trifluoromethyl)pyrimidine
CID 49868481
6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
5-[3-[3-(3,5-Dimethylphenyl)-5-methoxy-phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25195124
5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 25093369
5-((3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl)-6-methylpyrimidine-2,4-diamine
CID 44144379
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
5-[3-(3-Methoxy-5-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25093361
5-[(3S)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 25093370
6-Ethyl-5-[3-(5-Methoxybiphenyl-3-Yl)prop-1-Yn-1-Yl]pyrimidine-2,4-Diamine
CID 49788718
22-Methyl-13,18-Dioxa-7-Thia-3,5-Diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-Nonaen-4-Amine
CID 57383471
2-Amino-4-(m-methoxyphenyl)-6-(methylthio)-pyrimidine-5-carbonitrile
CID 2819137
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine (CID 44816908) is 6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine is COc1cccc(CSc2nc(N)cc(Cc3ccccc3)n2)c1.
What is the InChIKey of 6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine?
The InChIKey is NEIWFLIQHFOTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-23-17-9-5-8-15(11-17)13-24-19-21-16(12-18(20)22-19)10-14-6-3-2-4-7-14/h2-9,11-12H,10,13H2,1H3,(H2,20,21,22).
What are the key properties of 6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine?
6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine has a molecular weight of 337.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 44816908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).