4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane

C25H35FN6O2 — CID 144872350

IUPAC4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane
SMILESCC.CC1(C)CCCCC1O.N#Cc1cnc(NCCC2C(=O)Nc3cc(F)ccc32)nc1N
InChIInChI=1S/C15H13FN6O.C8H16O.C2H6/c16-9-1-2-10-11(14(23)21-12(10)5-9)3-4-19-15-20-7-8(6-17)13(18)22-15;1-8(2)6-4-3-5-7(8)9;1-2/h1-2,5,7,11H,3-4H2,(H,21,23)(H3,18,19,20,22);7,9H,3-6H2,1-2H3;1-2H3
InChIKeyOVHXUVDOBNEMHZ-UHFFFAOYSA-N
MW470.59 g/mol
LogP4.58
Rot. Bonds4

About 4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane

4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane (PubChem CID 144872350) has the molecular formula C25H35FN6O2 and a molecular weight of 470.59 g/mol. Its IUPAC name is 4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane.

Molecular Properties

Compound Name4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane
PubChem CID144872350
Molecular FormulaC25H35FN6O2
Molecular Weight470.59 g/mol
Exact Mass470.28
IUPAC Name4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane
SMILESCC.CC1(C)CCCCC1O.N#Cc1cnc(NCCC2C(=O)Nc3cc(F)ccc32)nc1N
InChIInChI=1S/C15H13FN6O.C8H16O.C2H6/c16-9-1-2-10-11(14(23)21-12(10)5-9)3-4-19-15-20-7-8(6-17)13(18)22-15;1-8(2)6-4-3-5-7(8)9;1-2/h1-2,5,7,11H,3-4H2,(H,21,23)(H3,18,19,20,22);7,9H,3-6H2,1-2H3;1-2H3
InChIKeyOVHXUVDOBNEMHZ-UHFFFAOYSA-N
XLogP4.58
TPSA136.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane?
The IUPAC name of 4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane (CID 144872350) is 4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane.
What is the SMILES notation for 4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane?
The canonical SMILES for 4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane is CC.CC1(C)CCCCC1O.N#Cc1cnc(NCCC2C(=O)Nc3cc(F)ccc32)nc1N.
What is the InChIKey of 4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane?
The InChIKey is OVHXUVDOBNEMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O.C8H16O.C2H6/c16-9-1-2-10-11(14(23)21-12(10)5-9)3-4-19-15-20-7-8(6-17)13(18)22-15;1-8(2)6-4-3-5-7(8)9;1-2/h1-2,5,7,11H,3-4H2,(H,21,23)(H3,18,19,20,22);7,9H,3-6H2,1-2H3;1-2H3.
What are the key properties of 4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane?
4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane has a molecular weight of 470.59 g/mol, XLogP of 4.58, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)ethylamino]pyrimidine-5-carbonitrile;2,2-dimethylcyclohexan-1-ol;ethane is sourced from PubChem (CID 144872350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).