6-benzyl-2-benzylsulfanylpyrimidin-4-amine

C18H17N3S — CID 46889062

IUPAC6-benzyl-2-benzylsulfanylpyrimidin-4-amine
SMILESNc1cc(Cc2ccccc2)nc(SCc2ccccc2)n1
InChIInChI=1S/C18H17N3S/c19-17-12-16(11-14-7-3-1-4-8-14)20-18(21-17)22-13-15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H2,19,20,21)
InChIKeyBVMKHCASRFTHGD-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.94
Rot. Bonds5

About 6-benzyl-2-benzylsulfanylpyrimidin-4-amine

6-benzyl-2-benzylsulfanylpyrimidin-4-amine (PubChem CID 46889062) has the molecular formula C18H17N3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 6-benzyl-2-benzylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-benzylsulfanylpyrimidin-4-amine
PubChem CID46889062
Molecular FormulaC18H17N3S
Molecular Weight307.42 g/mol
Exact Mass307.11
IUPAC Name6-benzyl-2-benzylsulfanylpyrimidin-4-amine
SMILESNc1cc(Cc2ccccc2)nc(SCc2ccccc2)n1
InChIInChI=1S/C18H17N3S/c19-17-12-16(11-14-7-3-1-4-8-14)20-18(21-17)22-13-15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H2,19,20,21)
InChIKeyBVMKHCASRFTHGD-UHFFFAOYSA-N
XLogP3.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
N,N'-dibenzyl-6-methylpyrimidine-2,4-diamine
CID 697225
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
6-Benzyl-2-(1-phenylethylsulfanyl)pyrimidin-4-amine
CID 44816741
6-Benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 44816742
6-Benzyl-2-(o-tolylmethylsulfanyl)pyrimidin-4-amine
CID 46861690
6-Benzyl-2-(m-tolylmethylsulfanyl)pyrimidin-4-amine
CID 46861691
6-Benzyl-2-phenethylsulfanyl-pyrimidin-4-amine
CID 46889064
2-(2-Naphthylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 470503

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-benzylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-benzylsulfanylpyrimidin-4-amine (CID 46889062) is 6-benzyl-2-benzylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-benzylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-benzylsulfanylpyrimidin-4-amine is Nc1cc(Cc2ccccc2)nc(SCc2ccccc2)n1.
What is the InChIKey of 6-benzyl-2-benzylsulfanylpyrimidin-4-amine?
The InChIKey is BVMKHCASRFTHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3S/c19-17-12-16(11-14-7-3-1-4-8-14)20-18(21-17)22-13-15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H2,19,20,21).
What are the key properties of 6-benzyl-2-benzylsulfanylpyrimidin-4-amine?
6-benzyl-2-benzylsulfanylpyrimidin-4-amine has a molecular weight of 307.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-benzylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 46889062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).