1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole

C18H17N3 — CID 57089316

IUPAC1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole
SMILESc1ccc(-n2c(C3=NCCCN3)cc3ccccc32)cc1
InChIInChI=1S/C18H17N3/c1-2-8-15(9-3-1)21-16-10-5-4-7-14(16)13-17(21)18-19-11-6-12-20-18/h1-5,7-10,13H,6,11-12H2,(H,19,20)
InChIKeyUTRTYPACFKAISU-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.37
Rot. Bonds2

About 1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole

1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole (PubChem CID 57089316) has the molecular formula C18H17N3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole.

Molecular Properties

Compound Name1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole
PubChem CID57089316
Molecular FormulaC18H17N3
Molecular Weight275.35 g/mol
Exact Mass275.14
IUPAC Name1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole
SMILESc1ccc(-n2c(C3=NCCCN3)cc3ccccc32)cc1
InChIInChI=1S/C18H17N3/c1-2-8-15(9-3-1)21-16-10-5-4-7-14(16)13-17(21)18-19-11-6-12-20-18/h1-5,7-10,13H,6,11-12H2,(H,19,20)
InChIKeyUTRTYPACFKAISU-UHFFFAOYSA-N
XLogP3.37
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenyl-4-(1-phenylindol-2-yl)aniline
CID 59993805
2-phenyl-1-pyridin-3-ylindole
CID 59214542
2-phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 576157
2-phenyl-7-(1-phenylindol-2-yl)-9H-carbazole
CID 167239516
3-(1-phenylindol-2-yl)-9H-carbazole
CID 142748712
9-[4-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]indol-2-yl]phenyl]carbazole
CID 145105553
N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
CID 144768904
9-[4-[3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)indol-2-yl]phenyl]phenyl]carbazole
CID 121429721
1,2-bis(4-methylphenyl)indole
CID 151814608
2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole
CID 139158144
1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole
CID 146262600
1-(3-methylphenyl)-2-phenylindole
CID 101372494

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole?
The IUPAC name of 1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole (CID 57089316) is 1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole.
What is the SMILES notation for 1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole?
The canonical SMILES for 1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole is c1ccc(-n2c(C3=NCCCN3)cc3ccccc32)cc1.
What is the InChIKey of 1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole?
The InChIKey is UTRTYPACFKAISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-8-15(9-3-1)21-16-10-5-4-7-14(16)13-17(21)18-19-11-6-12-20-18/h1-5,7-10,13H,6,11-12H2,(H,19,20).
What are the key properties of 1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole?
1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole has a molecular weight of 275.35 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole is sourced from PubChem (CID 57089316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).