4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile

C15H14N4S — CID 46484122

IUPAC4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(SC2CCCc3ccccc32)nc1N
InChIInChI=1S/C15H14N4S/c16-8-11-9-18-15(19-14(11)17)20-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,9,13H,3,5,7H2,(H2,17,18,19)
InChIKeyHGFWYOMVWCZQMR-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.10
Rot. Bonds2

About 4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile

4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile (PubChem CID 46484122) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile
PubChem CID46484122
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(SC2CCCc3ccccc32)nc1N
InChIInChI=1S/C15H14N4S/c16-8-11-9-18-15(19-14(11)17)20-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,9,13H,3,5,7H2,(H2,17,18,19)
InChIKeyHGFWYOMVWCZQMR-UHFFFAOYSA-N
XLogP3.10
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 67456420
5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile
CID 133491170
4-amino-2-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile
CID 94210151
4-amino-2-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]sulfanylpyrimidine-5-carbonitrile
CID 94210154
4-amino-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile
CID 855484
4-amino-2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanylpyrimidine-5-carbonitrile
CID 40662804
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzene-1,3-dicarbonitrile
CID 133498362
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carbonitrile
CID 62306461
N,N-diethyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)-1,2,4-triazole-1-carboxamide
CID 70276223
4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile
CID 4163635
1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 86606791
4-amino-2-[(R)-(2-methylphenyl)-phenylmethyl]sulfanylpyrimidine-5-carbonitrile
CID 30834797

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile (CID 46484122) is 4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile is N#Cc1cnc(SC2CCCc3ccccc32)nc1N.
What is the InChIKey of 4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile?
The InChIKey is HGFWYOMVWCZQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c16-8-11-9-18-15(19-14(11)17)20-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,9,13H,3,5,7H2,(H2,17,18,19).
What are the key properties of 4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile?
4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile has a molecular weight of 282.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 46484122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).