6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine

C17H23N5S — CID 19143766

IUPAC6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine
SMILESNc1c(NCCN2CCCCC2)ncnc1Sc1ccccc1
InChIInChI=1S/C17H23N5S/c18-15-16(19-9-12-22-10-5-2-6-11-22)20-13-21-17(15)23-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12,18H2,(H,19,20,21)
InChIKeyVZZFXDDKLIXAHS-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.11
Rot. Bonds6

About 6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine

6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine (PubChem CID 19143766) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine
PubChem CID19143766
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine
SMILESNc1c(NCCN2CCCCC2)ncnc1Sc1ccccc1
InChIInChI=1S/C17H23N5S/c18-15-16(19-9-12-22-10-5-2-6-11-22)20-13-21-17(15)23-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12,18H2,(H,19,20,21)
InChIKeyVZZFXDDKLIXAHS-UHFFFAOYSA-N
XLogP3.11
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-hexadecyl-6-phenylsulfanylpyrimidine-4,5-diamine
CID 19142416
4-hydrazinyl-6-phenylsulfanylpyrimidin-5-amine
CID 19149700
N'-[5-amino-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19143794
4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine
CID 65337256
4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine
CID 65336790
4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
CID 19138241
N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3599381
4-N-butyl-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19134776
4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19135261
4-N-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19149957
6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 25165203
3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile
CID 82817159

Frequently Asked Questions

What is the IUPAC name of 6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine (CID 19143766) is 6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine is Nc1c(NCCN2CCCCC2)ncnc1Sc1ccccc1.
What is the InChIKey of 6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine?
The InChIKey is VZZFXDDKLIXAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c18-15-16(19-9-12-22-10-5-2-6-11-22)20-13-21-17(15)23-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12,18H2,(H,19,20,21).
What are the key properties of 6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine?
6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine has a molecular weight of 329.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylsulfanyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19143766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).