6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine

C22H19N3S — CID 44816742

IUPAC6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine
SMILESNc1cc(Cc2ccccc2)nc(SCc2ccc3ccccc3c2)n1
InChIInChI=1S/C22H19N3S/c23-21-14-20(13-16-6-2-1-3-7-16)24-22(25-21)26-15-17-10-11-18-8-4-5-9-19(18)12-17/h1-12,14H,13,15H2,(H2,23,24,25)
InChIKeyKFMRTELFAHCMLI-UHFFFAOYSA-N
MW357.48 g/mol
LogP5.10
Rot. Bonds5

About 6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine

6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine (PubChem CID 44816742) has the molecular formula C22H19N3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine
PubChem CID44816742
Molecular FormulaC22H19N3S
Molecular Weight357.48 g/mol
Exact Mass357.13
IUPAC Name6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine
SMILESNc1cc(Cc2ccccc2)nc(SCc2ccc3ccccc3c2)n1
InChIInChI=1S/C22H19N3S/c23-21-14-20(13-16-6-2-1-3-7-16)24-22(25-21)26-15-17-10-11-18-8-4-5-9-19(18)12-17/h1-12,14H,13,15H2,(H2,23,24,25)
InChIKeyKFMRTELFAHCMLI-UHFFFAOYSA-N
XLogP5.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Benzyl-2-(1-phenylethylsulfanyl)pyrimidin-4-amine
CID 44816741
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
6-Chloro-2-(2-naphthylmethylsulfanyl)pyrimidin-4-amine
CID 470474
2-(2-Naphthylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 470503
6-Benzyl-2-[(4-tert-butylbenzyl)sulfanyl]pyrimidin-4-amine
CID 46889012
6-Benzyl-2-(benzylsulfanyl)pyrimidin-4-amine
CID 46889062
6-Benzyl-2-(3-phenylpropylsulfanyl)pyrimidin-4-amine
CID 46889090
2,4-Diamino-5-[2-[2-naphthyl]ethyl]quinazoline
CID 588277
6-Methyl-5-(naphthalen-2-YL)pyrimidine-2,4-diamine
CID 12214230
6-Ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine
CID 44531188

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine (CID 44816742) is 6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine is Nc1cc(Cc2ccccc2)nc(SCc2ccc3ccccc3c2)n1.
What is the InChIKey of 6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine?
The InChIKey is KFMRTELFAHCMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3S/c23-21-14-20(13-16-6-2-1-3-7-16)24-22(25-21)26-15-17-10-11-18-8-4-5-9-19(18)12-17/h1-12,14H,13,15H2,(H2,23,24,25).
What are the key properties of 6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine?
6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine has a molecular weight of 357.48 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(naphthalen-2-ylmethylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 44816742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).