4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine

C18H15N3S — CID 100914243

IUPAC4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine
SMILESNc1nccc(/C=C(\Sc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H15N3S/c19-18-20-12-11-15(21-18)13-17(14-7-3-1-4-8-14)22-16-9-5-2-6-10-16/h1-13H,(H2,19,20,21)/b17-13-
InChIKeyNPFWBDKLZWKWHJ-LGMDPLHJSA-N
MW305.41 g/mol
LogP4.35
Rot. Bonds4

About 4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine

4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine (PubChem CID 100914243) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine
PubChem CID100914243
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine
SMILESNc1nccc(/C=C(\Sc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H15N3S/c19-18-20-12-11-15(21-18)13-17(14-7-3-1-4-8-14)22-16-9-5-2-6-10-16/h1-13H,(H2,19,20,21)/b17-13-
InChIKeyNPFWBDKLZWKWHJ-LGMDPLHJSA-N
XLogP4.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-2-ethylsulfanyl-2-phenylethenyl]pyrimidin-2-amine
CID 15078075
2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline
CID 139835702
[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
CID 91738284
5-nitro-6-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-4-amine
CID 102321981
(Z)-1-phenyl-2-pyridin-2-ylethenamine
CID 13266377
1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene
CID 56956432
4-(1-phenyl-2-pyridin-2-ylethenyl)pyridine-2,6-diamine
CID 155099404
1-bromo-4-[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
CID 139262827
3-(2-aminopyrimidin-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 170800962
3-amino-2-phenylsulfanylpyridine-4-carbonitrile
CID 82813419
[(Z)-3-ethoxy-1-phenylprop-1-enyl]sulfanylbenzene
CID 101356614
[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
CID 10924031

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine?
The IUPAC name of 4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine (CID 100914243) is 4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine is Nc1nccc(/C=C(\Sc2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine?
The InChIKey is NPFWBDKLZWKWHJ-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H15N3S/c19-18-20-12-11-15(21-18)13-17(14-7-3-1-4-8-14)22-16-9-5-2-6-10-16/h1-13H,(H2,19,20,21)/b17-13-.
What are the key properties of 4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine?
4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine has a molecular weight of 305.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-phenyl-2-phenylsulfanylethenyl]pyrimidin-2-amine is sourced from PubChem (CID 100914243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).