5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine

C23H22N4O — CID 71666857

IUPAC5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4c[nH]c5ccccc45)CCOCC3)cc2)cn1
InChIInChI=1S/C23H22N4O/c24-22-26-13-17(14-27-22)16-5-7-18(8-6-16)23(9-11-28-12-10-23)20-15-25-21-4-2-1-3-19(20)21/h1-8,13-15,25H,9-12H2,(H2,24,26,27)
InChIKeyKKOIMCMKSGWTHZ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.30
Rot. Bonds3

About 5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine

5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine (PubChem CID 71666857) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine
PubChem CID71666857
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4c[nH]c5ccccc45)CCOCC3)cc2)cn1
InChIInChI=1S/C23H22N4O/c24-22-26-13-17(14-27-22)16-5-7-18(8-6-16)23(9-11-28-12-10-23)20-15-25-21-4-2-1-3-19(20)21/h1-8,13-15,25H,9-12H2,(H2,24,26,27)
InChIKeyKKOIMCMKSGWTHZ-UHFFFAOYSA-N
XLogP4.30
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
2-(4-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-ylamino)-3-methylphenyl)ethanol
CID 44416018
N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 142751812
5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 150511766
4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 162667027
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 2947810
2-({4-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-yl}amino)-2-methylpropan-1-ol
CID 11381333
N4-(9-ethyl-9H-carbazol-3-yl)-N2-(3-morpholin-4-ylpropyl)-pyrimidine-2,4-diamine
CID 51031035
4-(2-(4-fluorophenyl)-6-(piperidin-4-yl)-1H-indol-3-yl)pyrimidin-2-amine
CID 44564994
2-(4-(3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl)piperidin-1-yl)ethanol
CID 44564995
2-(4-fluorophenyl)-6-(piperidin-4-yl)-3-(pyrimidin-4-yl)-1H-indole
CID 44564996
2-(4-fluorophenyl)-6-(1-methylpiperidin-4-yl)-3-(pyrimidin-4-yl)-1H-indole
CID 44564997

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine (CID 71666857) is 5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(C3(c4c[nH]c5ccccc45)CCOCC3)cc2)cn1.
What is the InChIKey of 5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine?
The InChIKey is KKOIMCMKSGWTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c24-22-26-13-17(14-27-22)16-5-7-18(8-6-16)23(9-11-28-12-10-23)20-15-25-21-4-2-1-3-19(20)21/h1-8,13-15,25H,9-12H2,(H2,24,26,27).
What are the key properties of 5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine?
5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine has a molecular weight of 370.46 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(1H-indol-3-yl)oxan-4-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 71666857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).