2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile

C19H18N6S2 — CID 18507436

IUPAC2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(SCCc2ccccn2)nc(N)nc1SCCc1ccccn1
InChIInChI=1S/C19H18N6S2/c20-13-16-17(26-11-7-14-5-1-3-9-22-14)24-19(21)25-18(16)27-12-8-15-6-2-4-10-23-15/h1-6,9-10H,7-8,11-12H2,(H2,21,24,25)
InChIKeyWYUUOPMMZUHNSB-UHFFFAOYSA-N
MW394.53 g/mol
LogP3.39
Rot. Bonds8

About 2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile

2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile (PubChem CID 18507436) has the molecular formula C19H18N6S2 and a molecular weight of 394.53 g/mol. Its IUPAC name is 2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile
PubChem CID18507436
Molecular FormulaC19H18N6S2
Molecular Weight394.53 g/mol
Exact Mass394.10
IUPAC Name2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(SCCc2ccccn2)nc(N)nc1SCCc1ccccn1
InChIInChI=1S/C19H18N6S2/c20-13-16-17(26-11-7-14-5-1-3-9-22-14)24-19(21)25-18(16)27-12-8-15-6-2-4-10-23-15/h1-6,9-10H,7-8,11-12H2,(H2,21,24,25)
InChIKeyWYUUOPMMZUHNSB-UHFFFAOYSA-N
XLogP3.39
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-pyridin-2-ylethylsulfanyl)aniline
CID 12029846
3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282571
2-amino-4-butylsulfanyl-6-phenylpyrimidine-5-carbonitrile
CID 18507672
5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 14880955
2-[2-(2-chlorophenyl)sulfanylethyl]pyridine
CID 78815813
4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine
CID 139551703
3-(pyridin-2-ylmethylsulfanyl)pyrazin-2-amine
CID 106679150
2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine
CID 873007
2-(2-fluoroethyl)pyridine
CID 23246235
2-(2-pyridin-2-ylethylsulfanyl)-5-(trifluoromethyl)aniline
CID 60890511
2-pyridin-2-ylethyl cyanate
CID 21195134
2-amino-4-[5-[(2R)-2-methoxypropoxy]-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176709740

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile (CID 18507436) is 2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile is N#Cc1c(SCCc2ccccn2)nc(N)nc1SCCc1ccccn1.
What is the InChIKey of 2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile?
The InChIKey is WYUUOPMMZUHNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6S2/c20-13-16-17(26-11-7-14-5-1-3-9-22-14)24-19(21)25-18(16)27-12-8-15-6-2-4-10-23-15/h1-6,9-10H,7-8,11-12H2,(H2,21,24,25).
What are the key properties of 2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile?
2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile has a molecular weight of 394.53 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 18507436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).