N-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine

C24H20N4S — CID 15653056

IUPACN-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine
SMILESCCc1ccc(Nc2nccc(-c3cccc4c3Sc3ccccc3N4)n2)cc1
InChIInChI=1S/C24H20N4S/c1-2-16-10-12-17(13-11-16)26-24-25-15-14-19(28-24)18-6-5-8-21-23(18)29-22-9-4-3-7-20(22)27-21/h3-15,27H,2H2,1H3,(H,25,26,28)
InChIKeyHXFFETYPZJNXOC-UHFFFAOYSA-N
MW396.52 g/mol
LogP6.66
Rot. Bonds4

About N-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine

N-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine (PubChem CID 15653056) has the molecular formula C24H20N4S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine
PubChem CID15653056
Molecular FormulaC24H20N4S
Molecular Weight396.52 g/mol
Exact Mass396.14
IUPAC NameN-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine
SMILESCCc1ccc(Nc2nccc(-c3cccc4c3Sc3ccccc3N4)n2)cc1
InChIInChI=1S/C24H20N4S/c1-2-16-10-12-17(13-11-16)26-24-25-15-14-19(28-24)18-6-5-8-21-23(18)29-22-9-4-3-7-20(22)27-21/h3-15,27H,2H2,1H3,(H,25,26,28)
InChIKeyHXFFETYPZJNXOC-UHFFFAOYSA-N
XLogP6.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.52
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine (CID 15653056) is N-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine is CCc1ccc(Nc2nccc(-c3cccc4c3Sc3ccccc3N4)n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine?
The InChIKey is HXFFETYPZJNXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4S/c1-2-16-10-12-17(13-11-16)26-24-25-15-14-19(28-24)18-6-5-8-21-23(18)29-22-9-4-3-7-20(22)27-21/h3-15,27H,2H2,1H3,(H,25,26,28).
What are the key properties of N-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine?
N-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine has a molecular weight of 396.52 g/mol, XLogP of 6.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(10H-phenothiazin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 15653056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).