4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile

C19H23N5OS — CID 18753235

IUPAC4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile
SMILESCSc1nc(NCCO)c(C#N)c(N2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C19H23N5OS/c1-26-19-22-17(21-9-12-25)16(13-20)18(23-19)24-10-7-15(8-11-24)14-5-3-2-4-6-14/h2-6,15,25H,7-12H2,1H3,(H,21,22,23)
InChIKeyHDJGFMHEEFZSDM-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.86
Rot. Bonds6

About 4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile

4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile (PubChem CID 18753235) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile
PubChem CID18753235
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile
SMILESCSc1nc(NCCO)c(C#N)c(N2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C19H23N5OS/c1-26-19-22-17(21-9-12-25)16(13-20)18(23-19)24-10-7-15(8-11-24)14-5-3-2-4-6-14/h2-6,15,25H,7-12H2,1H3,(H,21,22,23)
InChIKeyHDJGFMHEEFZSDM-UHFFFAOYSA-N
XLogP2.86
TPSA85.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-fluorophenyl)piperidin-1-yl]-6-(2-hydroxyethylamino)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 18753243
2-[cyclopropyl(methyl)amino]-4-(2-hydroxyethylamino)-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
CID 69034526
2,4-bis(2-hydroxyethylamino)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-5-carbonitrile
CID 18753222
3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 658662
[2-methylsulfanyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80903003
2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile
CID 171987692
2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile
CID 86127467
3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
CID 57459476
2-methylsulfanyl-4-(2-morpholin-4-ylethoxy)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
CID 22003971
3-(2-hydroxyethylamino)-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4885917
4-(4-methylphenyl)-2-methylsulfanyl-6-(propylamino)pyrimidine-5-carbonitrile
CID 7747033
3-methylsulfanyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-triazine-6-carbonitrile
CID 18506776

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile (CID 18753235) is 4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile is CSc1nc(NCCO)c(C#N)c(N2CCC(c3ccccc3)CC2)n1.
What is the InChIKey of 4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile?
The InChIKey is HDJGFMHEEFZSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-26-19-22-17(21-9-12-25)16(13-20)18(23-19)24-10-7-15(8-11-24)14-5-3-2-4-6-14/h2-6,15,25H,7-12H2,1H3,(H,21,22,23).
What are the key properties of 4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile?
4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile has a molecular weight of 369.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 18753235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).